1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide

C12H16N4O — CID 61461821

IUPAC1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCn1ccc(NC(=O)C2(C#N)CCCCC2)n1
InChIInChI=1S/C12H16N4O/c1-16-8-5-10(15-16)14-11(17)12(9-13)6-3-2-4-7-12/h5,8H,2-4,6-7H2,1H3,(H,14,15,17)
InChIKeyUMVFBWRRPWQHEM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.83
Rot. Bonds2

About 1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide

1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 61461821) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
PubChem CID61461821
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCn1ccc(NC(=O)C2(C#N)CCCCC2)n1
InChIInChI=1S/C12H16N4O/c1-16-8-5-10(15-16)14-11(17)12(9-13)6-3-2-4-7-12/h5,8H,2-4,6-7H2,1H3,(H,14,15,17)
InChIKeyUMVFBWRRPWQHEM-UHFFFAOYSA-N
XLogP1.83
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(1-ethylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 114251204
1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873497
N-(5-bromo-6-methyl-2-pyridinyl)-1-cyanocyclopentane-1-carboxamide
CID 71987346
1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
CID 154752575
1-cyano-N-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 78994363
1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436760
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
CID 111926215
1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol
CID 79778673
1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 136524276
1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 60678365
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide (CID 61461821) is 1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide is Cn1ccc(NC(=O)C2(C#N)CCCCC2)n1.
What is the InChIKey of 1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is UMVFBWRRPWQHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-8-5-10(15-16)14-11(17)12(9-13)6-3-2-4-7-12/h5,8H,2-4,6-7H2,1H3,(H,14,15,17).
What are the key properties of 1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide?
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61461821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).