4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide

C25H29N3O — CID 55588344

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)C3CCC(c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C25H29N3O/c1-18-17-19(2)28(26-18)24-15-11-22(12-16-24)25(29)27(3)23-13-9-21(10-14-23)20-7-5-4-6-8-20/h4-8,11-12,15-17,21,23H,9-10,13-14H2,1-3H3
InChIKeyKUEOKOMAVKBOAI-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.29
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide (PubChem CID 55588344) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide
PubChem CID55588344
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)C3CCC(c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C25H29N3O/c1-18-17-19(2)28(26-18)24-15-11-22(12-16-24)25(29)27(3)23-13-9-21(10-14-23)20-7-5-4-6-8-20/h4-8,11-12,15-17,21,23H,9-10,13-14H2,1-3H3
InChIKeyKUEOKOMAVKBOAI-UHFFFAOYSA-N
XLogP5.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide
CID 945544
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 4862343
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 9466971
N-isopropyl-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 759525
TLX agonist 1
CID 2738508
3-Ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10807715
Deltazinone 1
CID 20919929
N-methyl-N-(2-phenylethyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide
CID 24826946
1-{4-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 24827139
1-(4-Fluorophenyl)-2-[4-(5-methyl-2-phenyl-2H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 46901909

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide (CID 55588344) is 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)N(C)C3CCC(c4ccccc4)CC3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide?
The InChIKey is KUEOKOMAVKBOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-18-17-19(2)28(26-18)24-15-11-22(12-16-24)25(29)27(3)23-13-9-21(10-14-23)20-7-5-4-6-8-20/h4-8,11-12,15-17,21,23H,9-10,13-14H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide has a molecular weight of 387.53 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide is sourced from PubChem (CID 55588344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).