3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide

C17H22N4O — CID 119822944

IUPAC3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESCc1ccccc1-n1nccc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C17H22N4O/c1-12-5-2-3-8-15(12)21-16(9-10-19-21)20-17(22)13-6-4-7-14(18)11-13/h2-3,5,8-10,13-14H,4,6-7,11,18H2,1H3,(H,20,22)
InChIKeyAWNIJNYOZPERKL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.64
Rot. Bonds3

About 3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide

3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide (PubChem CID 119822944) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
PubChem CID119822944
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESCc1ccccc1-n1nccc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C17H22N4O/c1-12-5-2-3-8-15(12)21-16(9-10-19-21)20-17(22)13-6-4-7-14(18)11-13/h2-3,5,8-10,13-14H,4,6-7,11,18H2,1H3,(H,20,22)
InChIKeyAWNIJNYOZPERKL-UHFFFAOYSA-N
XLogP2.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942
(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 96540089
N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119346019
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 84598089
cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 96539720
3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 66031864
2-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75442974
3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119776547
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119812811
3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide
CID 119729398
3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235020

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide (CID 119822944) is 3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide is Cc1ccccc1-n1nccc1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The InChIKey is AWNIJNYOZPERKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-5-2-3-8-15(12)21-16(9-10-19-21)20-17(22)13-6-4-7-14(18)11-13/h2-3,5,8-10,13-14H,4,6-7,11,18H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119822944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).