1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide

C15H17N5O2S — CID 75426525

IUPAC1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)n[nH]1
InChIInChI=1S/C15H17N5O2S/c1-11(2)14-8-15(18-17-14)19-23(21,22)13-9-16-20(10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,17,18,19)
InChIKeyUTHXQIFFOMGBIB-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.52
Rot. Bonds5

About 1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide

1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide (PubChem CID 75426525) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
PubChem CID75426525
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)n[nH]1
InChIInChI=1S/C15H17N5O2S/c1-11(2)14-8-15(18-17-14)19-23(21,22)13-9-16-20(10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,17,18,19)
InChIKeyUTHXQIFFOMGBIB-UHFFFAOYSA-N
XLogP2.52
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide (CID 75426525) is 1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide is CC(C)c1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)n[nH]1.
What is the InChIKey of 1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is UTHXQIFFOMGBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-11(2)14-8-15(18-17-14)19-23(21,22)13-9-16-20(10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,17,18,19).
What are the key properties of 1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide?
1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75426525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).