1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide

C14H18N4O2S — CID 138021200

IUPAC1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2cnn(C3CCC3)c2)n1
InChIInChI=1S/C14H18N4O2S/c1-11-5-3-8-14(16-11)17(2)21(19,20)13-9-15-18(10-13)12-6-4-7-12/h3,5,8-10,12H,4,6-7H2,1-2H3
InChIKeyUECCNYJREFSXQY-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.14
Rot. Bonds4

About 1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide

1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide (PubChem CID 138021200) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
PubChem CID138021200
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2cnn(C3CCC3)c2)n1
InChIInChI=1S/C14H18N4O2S/c1-11-5-3-8-14(16-11)17(2)21(19,20)13-9-15-18(10-13)12-6-4-7-12/h3,5,8-10,12H,4,6-7H2,1-2H3
InChIKeyUECCNYJREFSXQY-UHFFFAOYSA-N
XLogP2.14
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide (CID 138021200) is 1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide is Cc1cccc(N(C)S(=O)(=O)c2cnn(C3CCC3)c2)n1.
What is the InChIKey of 1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The InChIKey is UECCNYJREFSXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-11-5-3-8-14(16-11)17(2)21(19,20)13-9-15-18(10-13)12-6-4-7-12/h3,5,8-10,12H,4,6-7H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 138021200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).