N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide

C14H15FN4O2S — CID 86817931

IUPACN-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide
SMILESCCn1ncc(C#N)c1NS(=O)(=O)Cc1ccc(C)c(F)c1
InChIInChI=1S/C14H15FN4O2S/c1-3-19-14(12(7-16)8-17-19)18-22(20,21)9-11-5-4-10(2)13(15)6-11/h4-6,8,18H,3,9H2,1-2H3
InChIKeyURQYFKUNIVPIME-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.16
Rot. Bonds5

About N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide

N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide (PubChem CID 86817931) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide
PubChem CID86817931
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC NameN-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide
SMILESCCn1ncc(C#N)c1NS(=O)(=O)Cc1ccc(C)c(F)c1
InChIInChI=1S/C14H15FN4O2S/c1-3-19-14(12(7-16)8-17-19)18-22(20,21)9-11-5-4-10(2)13(15)6-11/h4-6,8,18H,3,9H2,1-2H3
InChIKeyURQYFKUNIVPIME-UHFFFAOYSA-N
XLogP2.16
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide 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-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022757
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 19582053
4-[[[1-(2-Methylsulfonylethyl)pyrazol-3-yl]amino]methyl]benzonitrile
CID 71914466
N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide
CID 75376208
N-[1-(3-cyanopropyl)pyrazol-3-yl]-2,5-difluoro-4-methylbenzenesulfonamide
CID 75381654
N-[1-(2-cyanoethyl)pyrazol-3-yl]-2,5-difluoro-4-methylbenzenesulfonamide
CID 84587593
N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorobenzenesulfonamide
CID 71861887
1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide
CID 71920940
N-(2-ethyl-4-methylpyrazol-3-yl)-2-(3-fluorophenyl)ethanesulfonamide
CID 138021246
N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67647097
N-[1-[(1E,3E)-1-amino-4-(trifluoromethyl)hexa-1,3,5-trienyl]-4-cyanopyrazol-5-yl]-3,5-dimethylbenzenesulfonamide
CID 89024491
8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide
CID 136928010

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide (CID 86817931) is N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide is CCn1ncc(C#N)c1NS(=O)(=O)Cc1ccc(C)c(F)c1.
What is the InChIKey of N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide?
The InChIKey is URQYFKUNIVPIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-3-19-14(12(7-16)8-17-19)18-22(20,21)9-11-5-4-10(2)13(15)6-11/h4-6,8,18H,3,9H2,1-2H3.
What are the key properties of N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide?
N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide has a molecular weight of 322.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 86817931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).