3-Dichloromethyl-1-methyl-1h-pyrazole

HCID 44541970

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cn1ccc(C(Cl)Cl)n1
InChIKey: JIBCIWOQRGOTRD-UHFFFAOYSA-N
Molecular formula: C5H6Cl2N2
Average molar mass: 165.02 g/mol

Names & identifiers

Preferred name: 3-Dichloromethyl-1-methyl-1h-pyrazole
IUPAC: 3-(dichloromethyl)-1-methylpyrazole

Names & synonyms

3-dichloromethyl-1-methyl-1h-pyrazole3-(dichloromethyl)-1-methylpyrazole1089212-41-8SCHEMBL10861363-dichloromethyl-N-methylpyrazoleJIBCIWOQRGOTRD-UHFFFAOYSA-NMFCD16619900SY331131

Database identifiers

PubChem CID: 44541970
Nikkaji: J2.789.716I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 97

Related reactions

3 records

New reaction record

HRID 803434As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1692042As productuspto-grants-2012_04

HRID 1692047As reactantuspto-grants-2012_04

Compound notes

Loading…