N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide

C12H13FN4O3S — CID 63362226

IUPACN-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)n(C)n1
InChIInChI=1S/C12H13FN4O3S/c1-7-3-11(17(2)16-7)12(18)15-9-4-8(13)5-10(6-9)21(14,19)20/h3-6H,1-2H3,(H,15,18)(H2,14,19,20)
InChIKeyKZQWQVIVSSMJSH-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.77
Rot. Bonds3

About N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide

N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 63362226) has the molecular formula C12H13FN4O3S and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID63362226
Molecular FormulaC12H13FN4O3S
Molecular Weight312.33 g/mol
Exact Mass312.07
IUPAC NameN-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)n(C)n1
InChIInChI=1S/C12H13FN4O3S/c1-7-3-11(17(2)16-7)12(18)15-9-4-8(13)5-10(6-9)21(14,19)20/h3-6H,1-2H3,(H,15,18)(H2,14,19,20)
InChIKeyKZQWQVIVSSMJSH-UHFFFAOYSA-N
XLogP0.77
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-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

N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
CID 51975647
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide
CID 56527757
1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
CID 78993821
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
CID 66128821
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
CID 61132724
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
2,5-dichloro-N-(3-fluoro-5-sulfamoylphenyl)thiophene-3-carboxamide
CID 103727937
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide (CID 63362226) is N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)n(C)n1.
What is the InChIKey of N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is KZQWQVIVSSMJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O3S/c1-7-3-11(17(2)16-7)12(18)15-9-4-8(13)5-10(6-9)21(14,19)20/h3-6H,1-2H3,(H,15,18)(H2,14,19,20).
What are the key properties of N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 63362226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).