2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride

C7H8ClFN2O — CID 142619001

IUPAC2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride
SMILESCc1cc(C(=O)Cl)n(C(C)F)n1
InChIInChI=1S/C7H8ClFN2O/c1-4-3-6(7(8)12)11(10-4)5(2)9/h3,5H,1-2H3
InChIKeyCFHPVFILMYEIFX-UHFFFAOYSA-N
MW190.60 g/mol
LogP2.06
Rot. Bonds2

About 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride

2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride (PubChem CID 142619001) has the molecular formula C7H8ClFN2O and a molecular weight of 190.60 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride
PubChem CID142619001
Molecular FormulaC7H8ClFN2O
Molecular Weight190.60 g/mol
Exact Mass190.03
IUPAC Name2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride
SMILESCc1cc(C(=O)Cl)n(C(C)F)n1
InChIInChI=1S/C7H8ClFN2O/c1-4-3-6(7(8)12)11(10-4)5(2)9/h3,5H,1-2H3
InChIKeyCFHPVFILMYEIFX-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl 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 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride?
The IUPAC name of 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride (CID 142619001) is 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride.
What is the SMILES notation for 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride?
The canonical SMILES for 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride is Cc1cc(C(=O)Cl)n(C(C)F)n1.
What is the InChIKey of 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride?
The InChIKey is CFHPVFILMYEIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-4-3-6(7(8)12)11(10-4)5(2)9/h3,5H,1-2H3.
What are the key properties of 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride?
2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride has a molecular weight of 190.60 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-methylpyrazole-3-carbonyl chloride is sourced from PubChem (CID 142619001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).