4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole

C8H10ClF3N2 — CID 59833762

IUPAC4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCc1nn(C(C)C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C8H10ClF3N2/c1-4(2)14-7(8(10,11)12)6(9)5(3)13-14/h4H,1-3H3
InChIKeyTWEAHQKMOBEHBY-UHFFFAOYSA-N
MW226.63 g/mol
LogP3.44
Rot. Bonds1

About 4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole

4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole (PubChem CID 59833762) has the molecular formula C8H10ClF3N2 and a molecular weight of 226.63 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
PubChem CID59833762
Molecular FormulaC8H10ClF3N2
Molecular Weight226.63 g/mol
Exact Mass226.05
IUPAC Name4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCc1nn(C(C)C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C8H10ClF3N2/c1-4(2)14-7(8(10,11)12)6(9)5(3)13-14/h4H,1-3H3
InChIKeyTWEAHQKMOBEHBY-UHFFFAOYSA-N
XLogP3.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-methyl-1-propan-2-yl-5-(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
1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one
CID 3806122
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CID 7017522
4-Chloro-1-[2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyldiselanyl]ethyl]-3,5-dimethylpyrazole
CID 172454328
4-Chloro-1-[3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethylselanyl]propyl]-3,5-dimethylpyrazole
CID 172467597
1-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 71053772
4-Chloro-3-(chloromethyl)-1,5-dimethyl-1H-pyrazole
CID 178343855
4-Chloro-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole
CID 129794178
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N,N-diethylacetamide
CID 3455021

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole (CID 59833762) is 4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole is Cc1nn(C(C)C)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The InChIKey is TWEAHQKMOBEHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2/c1-4(2)14-7(8(10,11)12)6(9)5(3)13-14/h4H,1-3H3.
What are the key properties of 4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole has a molecular weight of 226.63 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59833762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).