2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

C25H25Cl2F3N4O — CID 58317306

IUPAC2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCc1cc(NCC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C25H25Cl2F3N4O/c1-15-12-23(34(33-15)20-9-5-18(26)6-10-20)31-14-16-2-7-19(8-3-16)32-24(35)21-13-17(25(28,29)30)4-11-22(21)27/h4-6,9-13,16,19,31H,2-3,7-8,14H2,1H3,(H,32,35)
InChIKeyAMVMQMBZOYHNRT-UHFFFAOYSA-N
MW525.40 g/mol
LogP6.91
Rot. Bonds6

About 2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 58317306) has the molecular formula C25H25Cl2F3N4O and a molecular weight of 525.40 g/mol. Its IUPAC name is 2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID58317306
Molecular FormulaC25H25Cl2F3N4O
Molecular Weight525.40 g/mol
Exact Mass524.14
IUPAC Name2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCc1cc(NCC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C25H25Cl2F3N4O/c1-15-12-23(34(33-15)20-9-5-18(26)6-10-20)31-14-16-2-7-19(8-3-16)32-24(35)21-13-17(25(28,29)30)4-11-22(21)27/h4-6,9-13,16,19,31H,2-3,7-8,14H2,1H3,(H,32,35)
InChIKeyAMVMQMBZOYHNRT-UHFFFAOYSA-N
XLogP6.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.40
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 25119291
2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 5121984
4-Chloro-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide
CID 342596
(4-Chloro-phenyl)-(3-methyl-5-phenylamino-pyrazol-1-yl)-methanone
CID 811890
4-chloro-N-(1-cyclohexyl-3-phenyl-1H-pyrazol-5-yl)benzamide
CID 42601146
N-[2-[[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 45488207
N-[4-(3-acetamido-1-propan-2-ylpyrazol-5-yl)-2-phenylphenyl]-2-chloro-6-fluoro-N-(trideuteriomethyl)benzamide
CID 122184114
4-chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 735950
2-chloro-N-(2,5-diphenylpyrazol-3-yl)benzamide
CID 2818849
5-[[2-Chloro-5-[6-(difluoromethyl)pyridin-2-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118505207
2-chloro-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815110
2-chloro-N-[4-[[(5-propan-2-yl-1H-pyrazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 58317306) is 2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is Cc1cc(NCC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is AMVMQMBZOYHNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2F3N4O/c1-15-12-23(34(33-15)20-9-5-18(26)6-10-20)31-14-16-2-7-19(8-3-16)32-24(35)21-13-17(25(28,29)30)4-11-22(21)27/h4-6,9-13,16,19,31H,2-3,7-8,14H2,1H3,(H,32,35).
What are the key properties of 2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 525.40 g/mol, XLogP of 6.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 58317306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).