1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide

C23H19ClN4O4S — CID 46517440

IUPAC1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H19ClN4O4S/c24-15-6-10-18(11-7-15)28-21(22-5-2-12-32-22)14-20(26-28)23(29)25-17-3-1-4-19(13-17)33(30,31)27-16-8-9-16/h1-7,10-14,16,27H,8-9H2,(H,25,29)
InChIKeyZSPPVSZSIGIOTQ-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.48
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide

1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 46517440) has the molecular formula C23H19ClN4O4S and a molecular weight of 482.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide
PubChem CID46517440
Molecular FormulaC23H19ClN4O4S
Molecular Weight482.95 g/mol
Exact Mass482.08
IUPAC Name1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H19ClN4O4S/c24-15-6-10-18(11-7-15)28-21(22-5-2-12-32-22)14-20(26-28)23(29)25-17-3-1-4-19(13-17)33(30,31)27-16-8-9-16/h1-7,10-14,16,27H,8-9H2,(H,25,29)
InChIKeyZSPPVSZSIGIOTQ-UHFFFAOYSA-N
XLogP4.48
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 30391460
1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58866198
(4-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone;hydrochloride
CID 119376116
1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55805611
[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56546941
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 32688634
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide
CID 25498819
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 112811290
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55991120
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
CID 60610434
2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55532428
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 46528953

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide (CID 46517440) is 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The InChIKey is ZSPPVSZSIGIOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S/c24-15-6-10-18(11-7-15)28-21(22-5-2-12-32-22)14-20(26-28)23(29)25-17-3-1-4-19(13-17)33(30,31)27-16-8-9-16/h1-7,10-14,16,27H,8-9H2,(H,25,29).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 482.95 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 46517440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).