1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide

C16H21N3O2S — CID 166206958

IUPAC1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCc1nn(-c2ccccc2)cc1CNS(=O)(=O)CC1CCC1
InChIInChI=1S/C16H21N3O2S/c1-13-15(10-17-22(20,21)12-14-6-5-7-14)11-19(18-13)16-8-3-2-4-9-16/h2-4,8-9,11,14,17H,5-7,10,12H2,1H3
InChIKeyGXGQYDUZZQCGIB-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.40
Rot. Bonds6

About 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide

1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 166206958) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide
PubChem CID166206958
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCc1nn(-c2ccccc2)cc1CNS(=O)(=O)CC1CCC1
InChIInChI=1S/C16H21N3O2S/c1-13-15(10-17-22(20,21)12-14-6-5-7-14)11-19(18-13)16-8-3-2-4-9-16/h2-4,8-9,11,14,17H,5-7,10,12H2,1H3
InChIKeyGXGQYDUZZQCGIB-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]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-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
3-acetamido-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]azetidine-1-carboxamide
CID 99830472
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide
CID 51134971
N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
CID 64989311
2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 86971711
1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972062
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
CID 95307548
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770086
4-methyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 120510085
(2S)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]-3-phenylpropanoic acid
CID 99779368

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide (CID 166206958) is 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide is Cc1nn(-c2ccccc2)cc1CNS(=O)(=O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is GXGQYDUZZQCGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-13-15(10-17-22(20,21)12-14-6-5-7-14)11-19(18-13)16-8-3-2-4-9-16/h2-4,8-9,11,14,17H,5-7,10,12H2,1H3.
What are the key properties of 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide?
1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 166206958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).