2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

C24H32F3N3O — CID 174745497

IUPAC2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCC(C)c1cc(C(C)C)n(CC2CCC(c3ccc(C(F)(F)F)cc3C(N)=O)CC2)n1
InChIInChI=1S/C24H32F3N3O/c1-14(2)21-12-22(15(3)4)30(29-21)13-16-5-7-17(8-6-16)19-10-9-18(24(25,26)27)11-20(19)23(28)31/h9-12,14-17H,5-8,13H2,1-4H3,(H2,28,31)
InChIKeyPAEFBEKACZWYRP-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.22
Rot. Bonds6

About 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 174745497) has the molecular formula C24H32F3N3O and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID174745497
Molecular FormulaC24H32F3N3O
Molecular Weight435.53 g/mol
Exact Mass435.25
IUPAC Name2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCC(C)c1cc(C(C)C)n(CC2CCC(c3ccc(C(F)(F)F)cc3C(N)=O)CC2)n1
InChIInChI=1S/C24H32F3N3O/c1-14(2)21-12-22(15(3)4)30(29-21)13-16-5-7-17(8-6-16)19-10-9-18(24(25,26)27)11-20(19)23(28)31/h9-12,14-17H,5-8,13H2,1-4H3,(H2,28,31)
InChIKeyPAEFBEKACZWYRP-UHFFFAOYSA-N
XLogP6.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 150297817
2-chloro-N-[4-[[5-(dihydroxymethyl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 67364213
2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide
CID 62808321
2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]pyrazole-3-carboxamide
CID 140596113
2-chloro-3-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 142787981
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
CID 161043600
4,6-bis(4-butan-2-ylcyclohexyl)benzene-1,3-dicarboxamide
CID 169283703
2-[cyclopropylmethyl(ethyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63940124
1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide
CID 70948771
2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 142787879
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 174745497) is 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is CC(C)c1cc(C(C)C)n(CC2CCC(c3ccc(C(F)(F)F)cc3C(N)=O)CC2)n1.
What is the InChIKey of 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is PAEFBEKACZWYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O/c1-14(2)21-12-22(15(3)4)30(29-21)13-16-5-7-17(8-6-16)19-10-9-18(24(25,26)27)11-20(19)23(28)31/h9-12,14-17H,5-8,13H2,1-4H3,(H2,28,31).
What are the key properties of 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 435.53 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 174745497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).