3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride

C12H19ClN2O3S — CID 65165875

IUPAC3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride
SMILESCc1nn(CCCC2CCCO2)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C12H19ClN2O3S/c1-9-12(19(13,16)17)10(2)15(14-9)7-3-5-11-6-4-8-18-11/h11H,3-8H2,1-2H3
InChIKeyZPJYDWOWGLPBNF-UHFFFAOYSA-N
MW306.81 g/mol
LogP2.39
Rot. Bonds5

About 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride

3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride (PubChem CID 65165875) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride
PubChem CID65165875
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride
SMILESCc1nn(CCCC2CCCO2)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C12H19ClN2O3S/c1-9-12(19(13,16)17)10(2)15(14-9)7-3-5-11-6-4-8-18-11/h11H,3-8H2,1-2H3
InChIKeyZPJYDWOWGLPBNF-UHFFFAOYSA-N
XLogP2.39
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]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

Related Compounds

N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65165270
N-[2-[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]ethyl]propan-2-amine
CID 65165350
4-(chloromethyl)-3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazole
CID 65161690
4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one
CID 116626772
2,6-dimethyl-4-[3-(oxolan-2-yl)propoxy]benzenesulfonyl chloride
CID 65163378
5-methyl-3-nitro-1-(oxan-2-ylmethyl)pyrazole-4-sulfonyl chloride
CID 114253329
1-[3-(oxolan-2-yl)propyl]-2-propylimidazole-4-sulfonyl chloride
CID 65166085
4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one
CID 105107024
1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol
CID 65165219
2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
CID 65163326
2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 65165295
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 55088130

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride (CID 65165875) is 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride is Cc1nn(CCCC2CCCO2)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride?
The InChIKey is ZPJYDWOWGLPBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-9-12(19(13,16)17)10(2)15(14-9)7-3-5-11-6-4-8-18-11/h11H,3-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride?
3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride has a molecular weight of 306.81 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65165875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).