1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide

C19H24N4O2 — CID 77087471

IUPAC1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cc(-c3ccccc3)nn2C)CCCCC1
InChIInChI=1S/C19H24N4O2/c1-20-18(25)19(11-7-4-8-12-19)21-17(24)16-13-15(22-23(16)2)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyNZVFZEJYPNPDPS-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.27
Rot. Bonds4

About 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide

1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 77087471) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide
PubChem CID77087471
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cc(-c3ccccc3)nn2C)CCCCC1
InChIInChI=1S/C19H24N4O2/c1-20-18(25)19(11-7-4-8-12-19)21-17(24)16-13-15(22-23(16)2)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyNZVFZEJYPNPDPS-UHFFFAOYSA-N
XLogP2.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 45497134
1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539118
cis-(1S,2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146109119
3-bromo-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-2-carboxamide
CID 139001881
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 96556888
1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide
CID 119061773
methyl 1-[(4-chlorophenyl)methyl]-4-[[3-(4-chlorophenyl)-1-methylpyrazole-5-carbonyl]amino]piperidine-4-carboxylate
CID 171673545
[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 166374697
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 166269576
N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 47068312
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122357159
1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
CID 139014474

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide (CID 77087471) is 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide is CNC(=O)C1(NC(=O)c2cc(-c3ccccc3)nn2C)CCCCC1.
What is the InChIKey of 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is NZVFZEJYPNPDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-20-18(25)19(11-7-4-8-12-19)21-17(24)16-13-15(22-23(16)2)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide?
1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 77087471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).