3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole

C12H9F5N2 — CID 134203398

IUPAC3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCc1cn(-c2ccc(C(F)(F)F)cc2)nc1C(F)F
InChIInChI=1S/C12H9F5N2/c1-7-6-19(18-10(7)11(13)14)9-4-2-8(3-5-9)12(15,16)17/h2-6,11H,1H3
InChIKeyDTHVSCRGGUYCEQ-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.14
Rot. Bonds2

About 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole

3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 134203398) has the molecular formula C12H9F5N2 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID134203398
Molecular FormulaC12H9F5N2
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCc1cn(-c2ccc(C(F)(F)F)cc2)nc1C(F)F
InChIInChI=1S/C12H9F5N2/c1-7-6-19(18-10(7)11(13)14)9-4-2-8(3-5-9)12(15,16)17/h2-6,11H,1H3
InChIKeyDTHVSCRGGUYCEQ-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]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-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174393856
3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 122451400
[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 58733868
4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 132586087
2-[4-(trifluoromethyl)phenyl]indazole
CID 1214779
1-(3-methylphenyl)-3-[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-one
CID 141154714
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174415280
3-(difluoromethyl)-4-methylpyrazol-1-amine
CID 178089275
3-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 118614458
3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 130223137
3-[3-(difluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1-[2-(4-fluorophenyl)sulfanylcyclobutyl]propan-1-one
CID 161437239
N-[5-methyl-3-[2-[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-benzoxazol-6-yl]acetamide
CID 68544723

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 134203398) is 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is Cc1cn(-c2ccc(C(F)(F)F)cc2)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is DTHVSCRGGUYCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N2/c1-7-6-19(18-10(7)11(13)14)9-4-2-8(3-5-9)12(15,16)17/h2-6,11H,1H3.
What are the key properties of 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 276.21 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 134203398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).