3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide

C19H16N4O4S2 — CID 24597839

IUPAC3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1
InChIInChI=1S/C19H16N4O4S2/c20-29(25,26)18-9-8-14(28-18)12-21-19(24)16-11-15(17-7-4-10-27-17)22-23(16)13-5-2-1-3-6-13/h1-11H,12H2,(H,21,24)(H2,20,25,26)
InChIKeyVVTLRDSZWKZDBB-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.77
Rot. Bonds6

About 3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide

3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide (PubChem CID 24597839) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide
PubChem CID24597839
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC Name3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1
InChIInChI=1S/C19H16N4O4S2/c20-29(25,26)18-9-8-14(28-18)12-21-19(24)16-11-15(17-7-4-10-27-17)22-23(16)13-5-2-1-3-6-13/h1-11H,12H2,(H,21,24)(H2,20,25,26)
InChIKeyVVTLRDSZWKZDBB-UHFFFAOYSA-N
XLogP2.77
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 24583888
N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18131972
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55689940
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55664409
3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 120944023
3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
3-(furan-2-yl)-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 71891279

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide (CID 24597839) is 3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1.
What is the InChIKey of 3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is VVTLRDSZWKZDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c20-29(25,26)18-9-8-14(28-18)12-21-19(24)16-11-15(17-7-4-10-27-17)22-23(16)13-5-2-1-3-6-13/h1-11H,12H2,(H,21,24)(H2,20,25,26).
What are the key properties of 3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide?
3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 24597839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).