4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole

C9H14ClFN2 — CID 80694335

IUPAC4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole
SMILESCc1nn(CCF)c(C)c1C(C)Cl
InChIInChI=1S/C9H14ClFN2/c1-6(10)9-7(2)12-13(5-4-11)8(9)3/h6H,4-5H2,1-3H3
InChIKeyFKMGWLHIXRAAIR-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.77
Rot. Bonds3

About 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole

4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole (PubChem CID 80694335) has the molecular formula C9H14ClFN2 and a molecular weight of 204.68 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole
PubChem CID80694335
Molecular FormulaC9H14ClFN2
Molecular Weight204.68 g/mol
Exact Mass204.08
IUPAC Name4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole
SMILESCc1nn(CCF)c(C)c1C(C)Cl
InChIInChI=1S/C9H14ClFN2/c1-6(10)9-7(2)12-13(5-4-11)8(9)3/h6H,4-5H2,1-3H3
InChIKeyFKMGWLHIXRAAIR-UHFFFAOYSA-N
XLogP2.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole 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

1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
N-methyl-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine
CID 579620
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637
4-(2-chloroethyl)-1,3,5-trimethyl-1H-pyrazole
CID 23005969
[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride hydrate
CID 50944252
[(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methyl]-amine hydrochloride
CID 54758992
4-(chloromethyl)-1-(2-methanesulfonylethyl)-3,5-dimethyl-1H-pyrazole
CID 61058310
2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)acetonitrile
CID 75480775

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole (CID 80694335) is 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole is Cc1nn(CCF)c(C)c1C(C)Cl.
What is the InChIKey of 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole?
The InChIKey is FKMGWLHIXRAAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClFN2/c1-6(10)9-7(2)12-13(5-4-11)8(9)3/h6H,4-5H2,1-3H3.
What are the key properties of 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole?
4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole has a molecular weight of 204.68 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-(2-fluoroethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 80694335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).