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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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).