N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide

C30H26ClF3N4O3 — CID 154055974

IUPACN-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H26ClF3N4O3/c31-24-11-4-3-8-20(24)17-35-29(41)38-26(18-6-1-2-7-18)16-25(37-38)23-13-12-22(15-27(23)39)36-28(40)19-9-5-10-21(14-19)30(32,33)34/h3-5,8-16,18,39H,1-2,6-7,17H2,(H,35,41)(H,36,40)
InChIKeyCCEKYUIYEASOSU-UHFFFAOYSA-N
MW583.01 g/mol
LogP7.60
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide

N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide (PubChem CID 154055974) has the molecular formula C30H26ClF3N4O3 and a molecular weight of 583.01 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
PubChem CID154055974
Molecular FormulaC30H26ClF3N4O3
Molecular Weight583.01 g/mol
Exact Mass582.16
IUPAC NameN-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H26ClF3N4O3/c31-24-11-4-3-8-20(24)17-35-29(41)38-26(18-6-1-2-7-18)16-25(37-38)23-13-12-22(15-27(23)39)36-28(40)19-9-5-10-21(14-19)30(32,33)34/h3-5,8-16,18,39H,1-2,6-7,17H2,(H,35,41)(H,36,40)
InChIKeyCCEKYUIYEASOSU-UHFFFAOYSA-N
XLogP7.60
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.01
LogP ≤ 57.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
CID 59631888
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[(4-hydroxy-3-methylphenyl)methyl]benzamide
CID 59632553
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-4-methylphenyl)benzamide
CID 68656041
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135416052
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135443361
5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135443370
5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135443371
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135465788
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135486124
5-cyclopropyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135486127
5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135486131
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135493294

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide (CID 154055974) is N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide is O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The InChIKey is CCEKYUIYEASOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClF3N4O3/c31-24-11-4-3-8-20(24)17-35-29(41)38-26(18-6-1-2-7-18)16-25(37-38)23-13-12-22(15-27(23)39)36-28(40)19-9-5-10-21(14-19)30(32,33)34/h3-5,8-16,18,39H,1-2,6-7,17H2,(H,35,41)(H,36,40).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide has a molecular weight of 583.01 g/mol, XLogP of 7.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).