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

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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).