1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide

C24H22ClN3O4S — CID 55551382

IUPAC1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H22ClN3O4S/c1-16(17-9-11-20(12-10-17)33(3,30)31)27(2)24(29)21-15-22(23-8-5-13-32-23)28(26-21)19-7-4-6-18(25)14-19/h4-16H,1-3H3
InChIKeyOOOPSLXLOPIROF-UHFFFAOYSA-N
MW483.98 g/mol
LogP5.02
Rot. Bonds6

About 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 55551382) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide
PubChem CID55551382
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H22ClN3O4S/c1-16(17-9-11-20(12-10-17)33(3,30)31)27(2)24(29)21-15-22(23-8-5-13-32-23)28(26-21)19-7-4-6-18(25)14-19/h4-16H,1-3H3
InChIKeyOOOPSLXLOPIROF-UHFFFAOYSA-N
XLogP5.02
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.98
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-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-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509601
2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55550855
1-(3-chlorophenyl)-N'-(2,5-dimethylfuran-3-carbonyl)-5-(furan-2-yl)pyrazole-3-carbohydrazide
CID 32617649
N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55522244
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 86877598
1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
CID 32738812
1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 99177758
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
CID 52554012
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 25333179
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
CID 32614568

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide (CID 55551382) is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is OOOPSLXLOPIROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-16(17-9-11-20(12-10-17)33(3,30)31)27(2)24(29)21-15-22(23-8-5-13-32-23)28(26-21)19-7-4-6-18(25)14-19/h4-16H,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 483.98 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55551382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).