3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide

C7H12N4O2S — CID 60814194

IUPAC3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CC2)c(N)n1
InChIInChI=1S/C7H12N4O2S/c1-11-4-6(7(8)9-11)14(12,13)10-5-2-3-5/h4-5,10H,2-3H2,1H3,(H2,8,9)
InChIKeyORVJRNXIIMIGDE-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.56
Rot. Bonds3

About 3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide

3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide (PubChem CID 60814194) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
PubChem CID60814194
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CC2)c(N)n1
InChIInChI=1S/C7H12N4O2S/c1-11-4-6(7(8)9-11)14(12,13)10-5-2-3-5/h4-5,10H,2-3H2,1H3,(H2,8,9)
InChIKeyORVJRNXIIMIGDE-UHFFFAOYSA-N
XLogP-0.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide
CID 65471585
3-amino-1-methyl-N-(3-methylcyclohexyl)pyrazole-4-sulfonamide
CID 54922898
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide
CID 61108787
3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 61113632
3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60810421
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
CID 62976625
3-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1-methylpyrazole-4-sulfonamide
CID 107150658
3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60813866
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613
3-amino-N-(1-methylpyrrolidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61462052

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide (CID 60814194) is 3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CC2)c(N)n1.
What is the InChIKey of 3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is ORVJRNXIIMIGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-11-4-6(7(8)9-11)14(12,13)10-5-2-3-5/h4-5,10H,2-3H2,1H3,(H2,8,9).
What are the key properties of 3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide has a molecular weight of 216.27 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60814194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).