5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide

C18H16ClN3OS — CID 2766863

IUPAC5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Sc2ccc(Cl)cc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C18H16ClN3OS/c1-12-16(17(23)20-14-6-4-3-5-7-14)18(22(2)21-12)24-15-10-8-13(19)9-11-15/h3-11H,1-2H3,(H,20,23)
InChIKeyIVLMEWROCQWBMT-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.79
Rot. Bonds4

About 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide

5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide (PubChem CID 2766863) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
PubChem CID2766863
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Sc2ccc(Cl)cc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C18H16ClN3OS/c1-12-16(17(23)20-14-6-4-3-5-7-14)18(22(2)21-12)24-15-10-8-13(19)9-11-15/h3-11H,1-2H3,(H,20,23)
InChIKeyIVLMEWROCQWBMT-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide 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

1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 1486901
5-(3-chlorophenyl)sulfanyl-1,3-dimethylpyrazole-4-carboxylic acid
CID 55241539
N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide
CID 4309234
N-[4-(4-formyl-1,3-dimethylpyrazol-5-yl)sulfanylphenyl]acetamide
CID 63802362
5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279909
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 46693536
1-benzyl-3,5-dimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 9179547
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
5-chloro-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28548365
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide (CID 2766863) is 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide is Cc1nn(C)c(Sc2ccc(Cl)cc2)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
The InChIKey is IVLMEWROCQWBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-12-16(17(23)20-14-6-4-3-5-7-14)18(22(2)21-12)24-15-10-8-13(19)9-11-15/h3-11H,1-2H3,(H,20,23).
What are the key properties of 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide has a molecular weight of 357.87 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2766863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).