[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone

C27H24ClFN4O2 — CID 4567249

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone
SMILESCOc1ccc(-n2nc(-c3ccccc3F)cc2C(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C27H24ClFN4O2/c1-35-20-12-10-19(11-13-20)33-26(18-24(30-33)21-6-2-4-8-23(21)29)27(34)32-16-14-31(15-17-32)25-9-5-3-7-22(25)28/h2-13,18H,14-17H2,1H3
InChIKeyJRLFRCIGRPFUOT-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.30
Rot. Bonds5

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

[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone (PubChem CID 4567249) has the molecular formula C27H24ClFN4O2 and a molecular weight of 490.97 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone
PubChem CID4567249
Molecular FormulaC27H24ClFN4O2
Molecular Weight490.97 g/mol
Exact Mass490.16
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone
SMILESCOc1ccc(-n2nc(-c3ccccc3F)cc2C(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C27H24ClFN4O2/c1-35-20-12-10-19(11-13-20)33-26(18-24(30-33)21-6-2-4-8-23(21)29)27(34)32-16-14-31(15-17-32)25-9-5-3-7-22(25)28/h2-13,18H,14-17H2,1H3
InChIKeyJRLFRCIGRPFUOT-UHFFFAOYSA-N
XLogP5.30
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 10208201
5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)acetyl)-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 10275412
1-(3-fluoro-4-(2-(1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)-2-oxoethyl)phenyl)pyridin-2(1H)-one
CID 10298942
N-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23648157
1-(4-(2-(1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)-2-oxoethyl)phenyl)piperidin-2-one
CID 44446659
4-(4-chlorophenyl)-5-(3,4-difluorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 89601332
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10002504
1-(2-chlorophenyl)-4-fluoro-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 11004488
(3-Cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 16321718
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 24982004
1-(2-Chloro-4-fluorophenyl)-4-cyano-5-(4-methoxyphenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 25266087
N-{3-[5-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-1-methyl-prop-2-ynyl}-N-hydroxy-benzamide
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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone (CID 4567249) is [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone is COc1ccc(-n2nc(-c3ccccc3F)cc2C(=O)N2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone?
The InChIKey is JRLFRCIGRPFUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2/c1-35-20-12-10-19(11-13-20)33-26(18-24(30-33)21-6-2-4-8-23(21)29)27(34)32-16-14-31(15-17-32)25-9-5-3-7-22(25)28/h2-13,18H,14-17H2,1H3.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone has a molecular weight of 490.97 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 4567249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).