4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole

C6H6ClF3N2 — CID 14770656

IUPAC4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C6H6ClF3N2/c1-3-4(7)5(6(8,9)10)11-12(3)2/h1-2H3
InChIKeyNKLHNTJNPXVXAV-UHFFFAOYSA-N
MW198.58 g/mol
LogP2.40
Rot. Bonds

About 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole

4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 14770656) has the molecular formula C6H6ClF3N2 and a molecular weight of 198.58 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID14770656
Molecular FormulaC6H6ClF3N2
Molecular Weight198.58 g/mol
Exact Mass198.02
IUPAC Name4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C6H6ClF3N2/c1-3-4(7)5(6(8,9)10)11-12(3)2/h1-2H3
InChIKeyNKLHNTJNPXVXAV-UHFFFAOYSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole 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

4-chloro-1,3,5-trimethyl-1 H-pyrazole
CID 13951696
2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethylamine hydrochloride
CID 16192641
(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methanol
CID 7018577
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 6484254
4-Chloro-5-(chloromethyl)-1,3-dimethylpyrazole
CID 21185206
1H-Pyrazole, 3-(chloromethyl)-1-methyl-5-(trifluoromethyl)-
CID 21698122
5-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 21698230
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CID 7017522
1-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 71053772
4-Fluoro-1,3,5-trimethyl-1H-pyrazole
CID 89719861
5-(Difluoromethyl)-4-iodo-1,3-dimethyl-1H-pyrazole
CID 125724970
5-(difluoromethyl)-1,3-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 132586028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole (CID 14770656) is 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole is Cc1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is NKLHNTJNPXVXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2/c1-3-4(7)5(6(8,9)10)11-12(3)2/h1-2H3.
What are the key properties of 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 198.58 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 14770656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).