1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide

C12H19N3O — CID 4712824

IUPAC1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C12H19N3O/c1-9-3-5-11(6-4-9)14-12(16)10-7-13-15(2)8-10/h7-9,11H,3-6H2,1-2H3,(H,14,16)
InChIKeyDFVCGHSOIAHTJL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.73
Rot. Bonds2

About 1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide

1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide (PubChem CID 4712824) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
PubChem CID4712824
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C12H19N3O/c1-9-3-5-11(6-4-9)14-12(16)10-7-13-15(2)8-10/h7-9,11H,3-6H2,1-2H3,(H,14,16)
InChIKeyDFVCGHSOIAHTJL-UHFFFAOYSA-N
XLogP1.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide
CID 114309173
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 63326138
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524563
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 51091043
1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71868289
1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 154748608
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide (CID 4712824) is 1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide is CC1CCC(NC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide?
The InChIKey is DFVCGHSOIAHTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-3-5-11(6-4-9)14-12(16)10-7-13-15(2)8-10/h7-9,11H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide?
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 4712824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).