1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride

C10H14ClN3O2S — CID 82914187

IUPAC1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride
SMILESCC(C)(C#N)CCCn1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C10H14ClN3O2S/c1-10(2,8-12)4-3-5-14-7-9(6-13-14)17(11,15)16/h6-7H,3-5H2,1-2H3
InChIKeyFPKMZDCVKYYNDF-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.14
Rot. Bonds5

About 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride

1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride (PubChem CID 82914187) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride
PubChem CID82914187
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride
SMILESCC(C)(C#N)CCCn1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C10H14ClN3O2S/c1-10(2,8-12)4-3-5-14-7-9(6-13-14)17(11,15)16/h6-7H,3-5H2,1-2H3
InChIKeyFPKMZDCVKYYNDF-UHFFFAOYSA-N
XLogP2.14
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride 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 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride (CID 82914187) is 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride is CC(C)(C#N)CCCn1cc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride?
The InChIKey is FPKMZDCVKYYNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-10(2,8-12)4-3-5-14-7-9(6-13-14)17(11,15)16/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride?
1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride has a molecular weight of 275.76 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82914187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).