1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone

C25H24ClFN2O2 — CID 58034037

IUPAC1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone
SMILESO=C(CC1CCC(C(=O)Cc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C25H24ClFN2O2/c26-20-5-3-4-19(15-20)24(30)14-17-8-10-18(11-9-17)25(31)16-21-12-13-29(28-21)23-7-2-1-6-22(23)27/h1-7,12-13,15,17-18H,8-11,14,16H2
InChIKeyUMHMGAVXCOCDSZ-UHFFFAOYSA-N
MW438.93 g/mol
LogP5.86
Rot. Bonds7

About 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone

1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone (PubChem CID 58034037) has the molecular formula C25H24ClFN2O2 and a molecular weight of 438.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone
PubChem CID58034037
Molecular FormulaC25H24ClFN2O2
Molecular Weight438.93 g/mol
Exact Mass438.15
IUPAC Name1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone
SMILESO=C(CC1CCC(C(=O)Cc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C25H24ClFN2O2/c26-20-5-3-4-19(15-20)24(30)14-17-8-10-18(11-9-17)25(31)16-21-12-13-29(28-21)23-7-2-1-6-22(23)27/h1-7,12-13,15,17-18H,8-11,14,16H2
InChIKeyUMHMGAVXCOCDSZ-UHFFFAOYSA-N
XLogP5.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.93
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone (CID 58034037) is 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone is O=C(CC1CCC(C(=O)Cc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone?
The InChIKey is UMHMGAVXCOCDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O2/c26-20-5-3-4-19(15-20)24(30)14-17-8-10-18(11-9-17)25(31)16-21-12-13-29(28-21)23-7-2-1-6-22(23)27/h1-7,12-13,15,17-18H,8-11,14,16H2.
What are the key properties of 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone?
1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone has a molecular weight of 438.93 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]ethanone is sourced from PubChem (CID 58034037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).