2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide

C13H18N4O2S — CID 125435874

IUPAC2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide
SMILESCC(C)n1nccc1S(=O)(=O)N[C@@H](C)c1cccnc1
InChIInChI=1S/C13H18N4O2S/c1-10(2)17-13(6-8-15-17)20(18,19)16-11(3)12-5-4-7-14-9-12/h4-11,16H,1-3H3/t11-/m0/s1
InChIKeyLTIKDQVNGSHGMO-NSHDSACASA-N
MW294.38 g/mol
LogP1.90
Rot. Bonds5

About 2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide

2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide (PubChem CID 125435874) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide
PubChem CID125435874
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide
SMILESCC(C)n1nccc1S(=O)(=O)N[C@@H](C)c1cccnc1
InChIInChI=1S/C13H18N4O2S/c1-10(2)17-13(6-8-15-17)20(18,19)16-11(3)12-5-4-7-14-9-12/h4-11,16H,1-3H3/t11-/m0/s1
InChIKeyLTIKDQVNGSHGMO-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

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Related Compounds

N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
4-(3,5-Diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73349517
4-(3,5-Dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73351066
4-(3,4,5-Trimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355560
4-(4-Butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355561
2-methyl-4-pyrazol-1-yl-N-[1-(4-pyridylmethyl)-4-piperidyl]benzenesulfonamide
CID 118714493
4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 19355820
1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914762
4-pyrazol-1-yl-N-[1-(4-pyridylmethyl)-4-piperidyl]benzenesulfonamide
CID 118714492

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide (CID 125435874) is 2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide is CC(C)n1nccc1S(=O)(=O)N[C@@H](C)c1cccnc1.
What is the InChIKey of 2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide?
The InChIKey is LTIKDQVNGSHGMO-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(2)17-13(6-8-15-17)20(18,19)16-11(3)12-5-4-7-14-9-12/h4-11,16H,1-3H3/t11-/m0/s1.
What are the key properties of 2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide?
2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-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 2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 125435874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).