1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide

C16H17N5O2S — CID 146141081

IUPAC1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1cnn(C2CCC2)c1
InChIInChI=1S/C16H17N5O2S/c22-24(23,14-10-17-21(11-14)13-7-4-8-13)20-16-9-15(18-19-16)12-5-2-1-3-6-12/h1-3,5-6,9-11,13H,4,7-8H2,(H2,18,19,20)
InChIKeyLLOSYKCQVGWHKG-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.80
Rot. Bonds5

About 1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide

1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide (PubChem CID 146141081) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
PubChem CID146141081
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1cnn(C2CCC2)c1
InChIInChI=1S/C16H17N5O2S/c22-24(23,14-10-17-21(11-14)13-7-4-8-13)20-16-9-15(18-19-16)12-5-2-1-3-6-12/h1-3,5-6,9-11,13H,4,7-8H2,(H2,18,19,20)
InChIKeyLLOSYKCQVGWHKG-UHFFFAOYSA-N
XLogP2.80
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide (CID 146141081) is 1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is LLOSYKCQVGWHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-24(23,14-10-17-21(11-14)13-7-4-8-13)20-16-9-15(18-19-16)12-5-2-1-3-6-12/h1-3,5-6,9-11,13H,4,7-8H2,(H2,18,19,20).
What are the key properties of 1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 146141081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).