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

C29H24ClF3N4O3 — CID 154056061

IUPACN-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H24ClF3N4O3/c30-23-10-2-1-5-19(23)16-34-28(40)37-25(17-6-3-7-17)15-24(36-37)22-12-11-21(14-26(22)38)35-27(39)18-8-4-9-20(13-18)29(31,32)33/h1-2,4-5,8-15,17,38H,3,6-7,16H2,(H,34,40)(H,35,39)
InChIKeyFTSIKIXYMIMVJX-UHFFFAOYSA-N
MW568.98 g/mol
LogP7.21
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide (PubChem CID 154056061) has the molecular formula C29H24ClF3N4O3 and a molecular weight of 568.98 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
PubChem CID154056061
Molecular FormulaC29H24ClF3N4O3
Molecular Weight568.98 g/mol
Exact Mass568.15
IUPAC NameN-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H24ClF3N4O3/c30-23-10-2-1-5-19(23)16-34-28(40)37-25(17-6-3-7-17)15-24(36-37)22-12-11-21(14-26(22)38)35-27(39)18-8-4-9-20(13-18)29(31,32)33/h1-2,4-5,8-15,17,38H,3,6-7,16H2,(H,34,40)(H,35,39)
InChIKeyFTSIKIXYMIMVJX-UHFFFAOYSA-N
XLogP7.21
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.98
LogP ≤ 57.21
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-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide (CID 154056061) is N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide is O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The InChIKey is FTSIKIXYMIMVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF3N4O3/c30-23-10-2-1-5-19(23)16-34-28(40)37-25(17-6-3-7-17)15-24(36-37)22-12-11-21(14-26(22)38)35-27(39)18-8-4-9-20(13-18)29(31,32)33/h1-2,4-5,8-15,17,38H,3,6-7,16H2,(H,34,40)(H,35,39).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide has a molecular weight of 568.98 g/mol, XLogP of 7.21, 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-cyclobutyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154056061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).