3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

C16H13FN4O3S — CID 67664271

IUPAC3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C16H13FN4O3S/c17-10-7-5-9(6-8-10)14-13(15(16(18)22)21-20-14)11-3-1-2-4-12(11)25(19,23)24/h1-8H,(H2,18,22)(H,20,21)(H2,19,23,24)
InChIKeyQBECCCHIQNFEQE-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.63
Rot. Bonds4

About 3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 67664271) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID67664271
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC Name3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C16H13FN4O3S/c17-10-7-5-9(6-8-10)14-13(15(16(18)22)21-20-14)11-3-1-2-4-12(11)25(19,23)24/h1-8H,(H2,18,22)(H,20,21)(H2,19,23,24)
InChIKeyQBECCCHIQNFEQE-UHFFFAOYSA-N
XLogP1.63
TPSA131.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (CID 67664271) is 3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QBECCCHIQNFEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-10-7-5-9(6-8-10)14-13(15(16(18)22)21-20-14)11-3-1-2-4-12(11)25(19,23)24/h1-8H,(H2,18,22)(H,20,21)(H2,19,23,24).
What are the key properties of 3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 67664271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).