N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide

C11H11FN4O3S — CID 59733321

IUPACN-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN4O3S/c1-20(18,19)16-9-6-13-15-10(9)11(17)14-8-4-2-7(12)3-5-8/h2-6,16H,1H3,(H,13,15)(H,14,17)
InChIKeyQZULRZJGILSXCL-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.17
Rot. Bonds4

About N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide

N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide (PubChem CID 59733321) has the molecular formula C11H11FN4O3S and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
PubChem CID59733321
Molecular FormulaC11H11FN4O3S
Molecular Weight298.30 g/mol
Exact Mass298.05
IUPAC NameN-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN4O3S/c1-20(18,19)16-9-6-13-15-10(9)11(17)14-8-4-2-7(12)3-5-8/h2-6,16H,1H3,(H,13,15)(H,14,17)
InChIKeyQZULRZJGILSXCL-UHFFFAOYSA-N
XLogP1.17
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide (CID 59733321) is N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide is CS(=O)(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide?
The InChIKey is QZULRZJGILSXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3S/c1-20(18,19)16-9-6-13-15-10(9)11(17)14-8-4-2-7(12)3-5-8/h2-6,16H,1H3,(H,13,15)(H,14,17).
What are the key properties of N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).