1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide

C13H18N4O2S — CID 95738781

IUPAC1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)N[C@@H](C)c2ccncc2)cn1
InChIInChI=1S/C13H18N4O2S/c1-10(2)17-9-13(8-15-17)20(18,19)16-11(3)12-4-6-14-7-5-12/h4-11,16H,1-3H3/t11-/m0/s1
InChIKeyUMHQFHWGCZOHTA-NSHDSACASA-N
MW294.38 g/mol
LogP1.90
Rot. Bonds5

About 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide

1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide (PubChem CID 95738781) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide
PubChem CID95738781
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)N[C@@H](C)c2ccncc2)cn1
InChIInChI=1S/C13H18N4O2S/c1-10(2)17-9-13(8-15-17)20(18,19)16-11(3)12-4-6-14-7-5-12/h4-11,16H,1-3H3/t11-/m0/s1
InChIKeyUMHQFHWGCZOHTA-NSHDSACASA-N
XLogP1.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide (CID 95738781) is 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)N[C@@H](C)c2ccncc2)cn1.
What is the InChIKey of 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide?
The InChIKey is UMHQFHWGCZOHTA-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(2)17-9-13(8-15-17)20(18,19)16-11(3)12-4-6-14-7-5-12/h4-11,16H,1-3H3/t11-/m0/s1.
What are the key properties of 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide?
1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 95738781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).