5-amino-1H-pyrazole-4-sulfonamide

C3H6N4O2S — CID 60814684

IUPAC5-amino-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(N)(=O)=O
InChIInChI=1S/C3H6N4O2S/c4-3-2(1-6-7-3)10(5,8)9/h1H,(H3,4,6,7)(H2,5,8,9)
InChIKeyGBXKNZFIYLRALF-UHFFFAOYSA-N
MW162.17 g/mol
LogP-1.36
Rot. Bonds1

About 5-amino-1H-pyrazole-4-sulfonamide

5-amino-1H-pyrazole-4-sulfonamide (PubChem CID 60814684) has the molecular formula C3H6N4O2S and a molecular weight of 162.17 g/mol. Its IUPAC name is 5-amino-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-1H-pyrazole-4-sulfonamide
PubChem CID60814684
Molecular FormulaC3H6N4O2S
Molecular Weight162.17 g/mol
Exact Mass162.02
IUPAC Name5-amino-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(N)(=O)=O
InChIInChI=1S/C3H6N4O2S/c4-3-2(1-6-7-3)10(5,8)9/h1H,(H3,4,6,7)(H2,5,8,9)
InChIKeyGBXKNZFIYLRALF-UHFFFAOYSA-N
XLogP-1.36
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazole-4-sulfonamide
CID 45080579
1H-pyrazole-4-sulfonohydrazide
CID 60917034
4-methanesulfonyl-1H-pyrazol-5-amine hydrochloride
CID 13724139
4-(methylsulfonyl)-1H-pyrazol-3-amine
CID 13724138
5-fluoro-1H-pyrazole-4-sulfonamide
CID 69878057
4-(trifluoromethylsulfonyl)-1H-pyrazol-5-amine
CID 145843012
5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 55006557
5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 55006938
5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60809737
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60892505
5-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 61105335
5-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 61106241

Frequently Asked Questions

What is the IUPAC name of 5-amino-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-1H-pyrazole-4-sulfonamide (CID 60814684) is 5-amino-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(N)(=O)=O.
What is the InChIKey of 5-amino-1H-pyrazole-4-sulfonamide?
The InChIKey is GBXKNZFIYLRALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2S/c4-3-2(1-6-7-3)10(5,8)9/h1H,(H3,4,6,7)(H2,5,8,9).
What are the key properties of 5-amino-1H-pyrazole-4-sulfonamide?
5-amino-1H-pyrazole-4-sulfonamide has a molecular weight of 162.17 g/mol, XLogP of -1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60814684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).