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3-Propyl-1H-pyrazole-4-carbaldehyde

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Name

3-Propyl-1H-pyrazole-4-carbaldehyde

EINECS N/A
CAS No. 681260-23-1 Density 1.132 g/cm3
PSA 45.75000 LogP 1.17470
Solubility N/A Melting Point N/A
Formula C7H10N2O Boiling Point 300.9 °C at 760 mmHg
Molecular Weight 138.1671 Flash Point 140.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 681260-23-1 (3-Propyl-1H-pyrazole-4-carbaldehyde) Hazard Symbols N/A
Synonyms

1H-Pyrazole-4-carboxaldehyde, 3-propyl-;

 

3-Propyl-1H-pyrazole-4-carbaldehyde Specification

The 3-Propyl-1H-pyrazole-4-carbaldehyde, with the CAS registry number 681260-23-1, is also known as 1H-Pyrazole-4-carboxaldehyde, 3-propyl-. This chemical's molecular formula is C7H10N2O and molecular weight is 138.1671. What's more, its systematic name is called 5-Propyl-1H-pyrazole-4-carbaldehyde.

Physical properties about 3-Propyl-1H-pyrazole-4-carbaldehyde are: (1)ACD/LogP: 1.26; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.36; (6)ACD/BCF (pH 7.4): 5.36; (7)ACD/KOC (pH 5.5): 115.7; (8)ACD/KOC (pH 7.4): 115.71; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 39.71 cm3; (15)Molar Volume: 121.9 cm3; (16)Polarizability: 15.74×10-24 cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 140.2 °C; (20)Enthalpy of Vaporization: 54.1 kJ/mol; (21)Boiling Point: 300.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00109 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cnnc1CCC
(2) InChI: InChI=1/C7H10N2O/c1-2-3-7-6(5-10)4-8-9-7/h4-5H,2-3H2,1H3,(H,8,9)
(3) InChIKey: NIWZBRGCLHKEHG-UHFFFAOYAQ

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