N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide

C14H15FN4O3S — CID 136559065

IUPACN-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC2)c1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H15FN4O3S/c1-19-13(12(8-16-19)14(20)17-10-5-6-10)18-23(21,22)11-4-2-3-9(15)7-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,17,20)
InChIKeyNLSRNSCZYCWJDB-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.25
Rot. Bonds5

About N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide

N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide (PubChem CID 136559065) has the molecular formula C14H15FN4O3S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide
PubChem CID136559065
Molecular FormulaC14H15FN4O3S
Molecular Weight338.36 g/mol
Exact Mass338.08
IUPAC NameN-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC2)c1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H15FN4O3S/c1-19-13(12(8-16-19)14(20)17-10-5-6-10)18-23(21,22)11-4-2-3-9(15)7-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,17,20)
InChIKeyNLSRNSCZYCWJDB-UHFFFAOYSA-N
XLogP1.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803305
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218818
N-cyclopentyl-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936868
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378
N-cyclohexyl-5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063267
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110483243

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide (CID 136559065) is N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CC2)c1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide?
The InChIKey is NLSRNSCZYCWJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3S/c1-19-13(12(8-16-19)14(20)17-10-5-6-10)18-23(21,22)11-4-2-3-9(15)7-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide?
N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(3-fluorophenyl)sulfonylamino]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 136559065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).