2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide

C12H14N4O2S — CID 61176044

IUPAC2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide
SMILESNc1ccn(-c2ccccc2S(=O)(=O)NC2CC2)n1
InChIInChI=1S/C12H14N4O2S/c13-12-7-8-16(14-12)10-3-1-2-4-11(10)19(17,18)15-9-5-6-9/h1-4,7-9,15H,5-6H2,(H2,13,14)
InChIKeyVWZIMISCUIBOOJ-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.90
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide

2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide (PubChem CID 61176044) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide
PubChem CID61176044
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide
SMILESNc1ccn(-c2ccccc2S(=O)(=O)NC2CC2)n1
InChIInChI=1S/C12H14N4O2S/c13-12-7-8-16(14-12)10-3-1-2-4-11(10)19(17,18)15-9-5-6-9/h1-4,7-9,15H,5-6H2,(H2,13,14)
InChIKeyVWZIMISCUIBOOJ-UHFFFAOYSA-N
XLogP0.90
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide (CID 61176044) is 2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide is Nc1ccn(-c2ccccc2S(=O)(=O)NC2CC2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is VWZIMISCUIBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-12-7-8-16(14-12)10-3-1-2-4-11(10)19(17,18)15-9-5-6-9/h1-4,7-9,15H,5-6H2,(H2,13,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide?
2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 61176044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).