1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)-

C12H16N4O — CID 164120

IUPAC5-cyano-N-methyl-1-(1-methylcyclopentyl)pyrazole-4-carboxamide
SMILESCC1(CCCC1)N2C(=C(C=N2)C(=O)NC)C#N
InChIInChI=1S/C12H16N4O/c1-12(5-3-4-6-12)16-10(7-13)9(8-15-16)11(17)14-2/h8H,3-6H2,1-2H3,(H,14,17)
InChIKeyBFJQPNGTNDRMPP-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.90
Rot. Bonds2

About 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)-

1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)- (PubChem CID 164120) has the molecular formula C12H16N4O and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-cyano-N-methyl-1-(1-methylcyclopentyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)-
PubChem CID164120
Molecular FormulaC12H16N4O
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name5-cyano-N-methyl-1-(1-methylcyclopentyl)pyrazole-4-carboxamide
SMILESCC1(CCCC1)N2C(=C(C=N2)C(=O)NC)C#N
InChIInChI=1S/C12H16N4O/c1-12(5-3-4-6-12)16-10(7-13)9(8-15-16)11(17)14-2/h8H,3-6H2,1-2H3,(H,14,17)
InChIKeyBFJQPNGTNDRMPP-UHFFFAOYSA-N
XLogP0.90
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity353

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-
CID 175787
N-(cyclobutylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 33381566
5-(1-Ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201430
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinecarbonitrile
CID 72939176
3-[4-(Azocane-1-carbonyl)-5-methylpyrazol-1-yl]propanenitrile
CID 126830007
1-tert-butyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 13822013
1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide
CID 70952080
3-Cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
CID 169217983
3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide
CID 169218283
1-[1-Tert-butyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidine-4-carbonitrile
CID 49061961
N-(2-ethylhexyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008817
1-(3-aminopropyl)-5-methyl-N-(5,5,5-trifluoropentyl)pyrazole-4-carboxamide
CID 115514942

Frequently Asked Questions

What is the IUPAC name of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)-?
The IUPAC name of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)- (CID 164120) is 5-cyano-N-methyl-1-(1-methylcyclopentyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)-?
The canonical SMILES for 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)- is CC1(CCCC1)N2C(=C(C=N2)C(=O)NC)C#N.
What is the InChIKey of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)-?
The InChIKey is BFJQPNGTNDRMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(5-3-4-6-12)16-10(7-13)9(8-15-16)11(17)14-2/h8H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)-?
1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)- has a molecular weight of 232.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-(1-methylcyclopentyl)- is sourced from PubChem (CID 164120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).