1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone

C24H21ClN2O2S — CID 59632988

IUPAC1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)cc2)s1
InChIInChI=1S/C24H21ClN2O2S/c1-15(28)21-12-13-22(30-21)17-10-8-16(9-11-17)20-14-23(24(2,3)29)26-27(20)19-7-5-4-6-18(19)25/h4-14,29H,1-3H3
InChIKeyRKKPYHUFWXTXRV-UHFFFAOYSA-N
MW436.96 g/mol
LogP6.35
Rot. Bonds5

About 1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone

1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone (PubChem CID 59632988) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is 1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone
PubChem CID59632988
Molecular FormulaC24H21ClN2O2S
Molecular Weight436.96 g/mol
Exact Mass436.10
IUPAC Name1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)cc2)s1
InChIInChI=1S/C24H21ClN2O2S/c1-15(28)21-12-13-22(30-21)17-10-8-16(9-11-17)20-14-23(24(2,3)29)26-27(20)19-7-5-4-6-18(19)25/h4-14,29H,1-3H3
InChIKeyRKKPYHUFWXTXRV-UHFFFAOYSA-N
XLogP6.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]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-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone (CID 59632988) is 1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)cc2)s1.
What is the InChIKey of 1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone?
The InChIKey is RKKPYHUFWXTXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c1-15(28)21-12-13-22(30-21)17-10-8-16(9-11-17)20-14-23(24(2,3)29)26-27(20)19-7-5-4-6-18(19)25/h4-14,29H,1-3H3.
What are the key properties of 1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone?
1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone has a molecular weight of 436.96 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 59632988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).