N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide

C8H10N4O — CID 62651511

IUPACN-(2-cyanopropyl)-1H-pyrazole-4-carboxamide
SMILESCC(C#N)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C8H10N4O/c1-6(2-9)3-10-8(13)7-4-11-12-5-7/h4-6H,3H2,1H3,(H,10,13)(H,11,12)
InChIKeyDQFOSMHCYKAWKQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.30
Rot. Bonds3

About N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide

N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide (PubChem CID 62651511) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-1H-pyrazole-4-carboxamide
PubChem CID62651511
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-(2-cyanopropyl)-1H-pyrazole-4-carboxamide
SMILESCC(C#N)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C8H10N4O/c1-6(2-9)3-10-8(13)7-4-11-12-5-7/h4-6H,3H2,1H3,(H,10,13)(H,11,12)
InChIKeyDQFOSMHCYKAWKQ-UHFFFAOYSA-N
XLogP0.30
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
CID 115649315
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
CID 106285778
N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
CID 130661028
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
N-(2-cyanopropyl)pyridine-2-carboxamide
CID 62651477
4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide
CID 82833436
N-(2-cyanopropyl)-3,4-diethoxybenzamide
CID 62653111

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide (CID 62651511) is N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide is CC(C#N)CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DQFOSMHCYKAWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-6(2-9)3-10-8(13)7-4-11-12-5-7/h4-6H,3H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide?
N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62651511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).