N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide

C9H15N3O2S — CID 103697702

IUPACN-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1cn[nH]c1)C1CC1
InChIInChI=1S/C9H15N3O2S/c1-9(2,7-3-4-7)12-15(13,14)8-5-10-11-6-8/h5-7,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyCQCRFJWQWIRKGL-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.88
Rot. Bonds4

About N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide

N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 103697702) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID103697702
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1cn[nH]c1)C1CC1
InChIInChI=1S/C9H15N3O2S/c1-9(2,7-3-4-7)12-15(13,14)8-5-10-11-6-8/h5-7,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyCQCRFJWQWIRKGL-UHFFFAOYSA-N
XLogP0.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-1H-pyrazole-4-sulfonamide
CID 47267365
5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
CID 103697703
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115310721
N-(1-bromo-3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106169959
N-[3-(bromomethyl)pentan-3-yl]-1H-pyrazole-4-sulfonamide
CID 114294057
N-(4-ethylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61354875
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
CID 63859195
N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 171675219
N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158132
N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106126673
N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide
CID 114297358

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide (CID 103697702) is N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide is CC(C)(NS(=O)(=O)c1cn[nH]c1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is CQCRFJWQWIRKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-9(2,7-3-4-7)12-15(13,14)8-5-10-11-6-8/h5-7,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide?
N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103697702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).