1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one

C24H19ClN2OS — CID 58302259

IUPAC1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2nn(-c3ccccc3)cc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN2OS/c1-2-22(28)17-8-10-18(11-9-17)24-23(29-21-14-12-19(25)13-15-21)16-27(26-24)20-6-4-3-5-7-20/h3-16H,2H2,1H3
InChIKeyKUBZPDLYBCMFQA-UHFFFAOYSA-N
MW418.95 g/mol
LogP6.94
Rot. Bonds6

About 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one

1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one (PubChem CID 58302259) has the molecular formula C24H19ClN2OS and a molecular weight of 418.95 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one
PubChem CID58302259
Molecular FormulaC24H19ClN2OS
Molecular Weight418.95 g/mol
Exact Mass418.09
IUPAC Name1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2nn(-c3ccccc3)cc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN2OS/c1-2-22(28)17-8-10-18(11-9-17)24-23(29-21-14-12-19(25)13-15-21)16-27(26-24)20-6-4-3-5-7-20/h3-16H,2H2,1H3
InChIKeyKUBZPDLYBCMFQA-UHFFFAOYSA-N
XLogP6.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.95
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one 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

4-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)-3-(4-prop-1-en-2-ylphenyl)pyrazole
CID 70253463
2-[5-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]pyrazin-2-yl]propan-2-ol
CID 44593962
CID 67048003
CID 67048003
3-(4-chlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 7721800
3-(4-chlorophenyl)-1-phenylpyrazol-4-ol
CID 99938046
3-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42988922
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
3-[4-(4-chlorophenyl)sulfanyl-3-(4-imidazol-1-ylphenyl)pyrazol-1-yl]pyridine
CID 44595951
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl 2-phenylsulfanylacetate
CID 4846573

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one (CID 58302259) is 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one is CCC(=O)c1ccc(-c2nn(-c3ccccc3)cc2Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one?
The InChIKey is KUBZPDLYBCMFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2OS/c1-2-22(28)17-8-10-18(11-9-17)24-23(29-21-14-12-19(25)13-15-21)16-27(26-24)20-6-4-3-5-7-20/h3-16H,2H2,1H3.
What are the key properties of 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one?
1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one has a molecular weight of 418.95 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]phenyl]propan-1-one is sourced from PubChem (CID 58302259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).