5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide

C8H14N4O2S — CID 82459999

IUPAC5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(N)c1S(=O)(=O)NC1CC1
InChIInChI=1S/C8H14N4O2S/c1-5-7(8(9)12(2)10-5)15(13,14)11-6-3-4-6/h6,11H,3-4,9H2,1-2H3
InChIKeyAKCHMJMPMNHIAP-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.25
Rot. Bonds3

About 5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide

5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 82459999) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID82459999
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(N)c1S(=O)(=O)NC1CC1
InChIInChI=1S/C8H14N4O2S/c1-5-7(8(9)12(2)10-5)15(13,14)11-6-3-4-6/h6,11H,3-4,9H2,1-2H3
InChIKeyAKCHMJMPMNHIAP-UHFFFAOYSA-N
XLogP-0.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide (CID 82459999) is 5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(N)c1S(=O)(=O)NC1CC1.
What is the InChIKey of 5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is AKCHMJMPMNHIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-5-7(8(9)12(2)10-5)15(13,14)11-6-3-4-6/h6,11H,3-4,9H2,1-2H3.
What are the key properties of 5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide?
5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 82459999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).