[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C28H21ClF6N4O — CID 59632376

IUPAC[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C28H21ClF6N4O/c29-21-6-2-4-8-23(21)39-24(17-25(36-39)28(33,34)35)18-9-11-19(12-10-18)26(40)38-15-13-37(14-16-38)22-7-3-1-5-20(22)27(30,31)32/h1-12,17H,13-16H2
InChIKeyKRFZDXDYHBBDHI-UHFFFAOYSA-N
MW578.94 g/mol
LogP7.19
Rot. Bonds4

About [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 59632376) has the molecular formula C28H21ClF6N4O and a molecular weight of 578.94 g/mol. Its IUPAC name is [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID59632376
Molecular FormulaC28H21ClF6N4O
Molecular Weight578.94 g/mol
Exact Mass578.13
IUPAC Name[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C28H21ClF6N4O/c29-21-6-2-4-8-23(21)39-24(17-25(36-39)28(33,34)35)18-9-11-19(12-10-18)26(40)38-15-13-37(14-16-38)22-7-3-1-5-20(22)27(30,31)32/h1-12,17H,13-16H2
InChIKeyKRFZDXDYHBBDHI-UHFFFAOYSA-N
XLogP7.19
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.94
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 15603837
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 11408036
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 21868807
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-trifluoroethyl)-2H-pyrazolo[3,4-c]pyridin-7(6H)-one
CID 11407971
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(2-fluorophenyl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)-N-hydroxyacetimidamide
CID 46226158
1-{[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]carbonyl}-4-phenylpiperidine-4-carboxamide
CID 57342713
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617976
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617977
6-Tert-butyl-2-(2-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 42617978
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(4-fluorophenyl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetonitrile
CID 46225109
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(2-fluorophenyl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetamide
CID 46226139
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 127027049

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 59632376) is [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is KRFZDXDYHBBDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF6N4O/c29-21-6-2-4-8-23(21)39-24(17-25(36-39)28(33,34)35)18-9-11-19(12-10-18)26(40)38-15-13-37(14-16-38)22-7-3-1-5-20(22)27(30,31)32/h1-12,17H,13-16H2.
What are the key properties of [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 578.94 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 59632376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).