4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine

C9H10ClN3O2S — CID 104732304

IUPAC4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine
SMILESCC(CCl)S(=O)(=O)c1nccn2nccc12
InChIInChI=1S/C9H10ClN3O2S/c1-7(6-10)16(14,15)9-8-2-3-12-13(8)5-4-11-9/h2-5,7H,6H2,1H3
InChIKeyWRZWDVWGVCVGQN-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.13
Rot. Bonds3

About 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine

4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine (PubChem CID 104732304) has the molecular formula C9H10ClN3O2S and a molecular weight of 259.72 g/mol. Its IUPAC name is 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine
PubChem CID104732304
Molecular FormulaC9H10ClN3O2S
Molecular Weight259.72 g/mol
Exact Mass259.02
IUPAC Name4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine
SMILESCC(CCl)S(=O)(=O)c1nccn2nccc12
InChIInChI=1S/C9H10ClN3O2S/c1-7(6-10)16(14,15)9-8-2-3-12-13(8)5-4-11-9/h2-5,7H,6H2,1H3
InChIKeyWRZWDVWGVCVGQN-UHFFFAOYSA-N
XLogP1.13
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine (CID 104732304) is 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine is CC(CCl)S(=O)(=O)c1nccn2nccc12.
What is the InChIKey of 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is WRZWDVWGVCVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S/c1-7(6-10)16(14,15)9-8-2-3-12-13(8)5-4-11-9/h2-5,7H,6H2,1H3.
What are the key properties of 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine?
4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 259.72 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104732304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).