1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C17H15FN4O4S — CID 42109700

IUPAC1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H15FN4O4S/c1-26-15-10-22(13-6-2-11(18)3-7-13)21-16(15)17(23)20-12-4-8-14(9-5-12)27(19,24)25/h2-10H,1H3,(H,20,23)(H2,19,24,25)
InChIKeyCJYIXKANKLUWKP-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.92
Rot. Bonds5

About 1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 42109700) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID42109700
Molecular FormulaC17H15FN4O4S
Molecular Weight390.40 g/mol
Exact Mass390.08
IUPAC Name1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H15FN4O4S/c1-26-15-10-22(13-6-2-11(18)3-7-13)21-16(15)17(23)20-12-4-8-14(9-5-12)27(19,24)25/h2-10H,1H3,(H,20,23)(H2,19,24,25)
InChIKeyCJYIXKANKLUWKP-UHFFFAOYSA-N
XLogP1.92
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 42109700) is 1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is CJYIXKANKLUWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c1-26-15-10-22(13-6-2-11(18)3-7-13)21-16(15)17(23)20-12-4-8-14(9-5-12)27(19,24)25/h2-10H,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxy-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42109700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).