4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole

C19H12F5N3 — CID 141219344

IUPAC4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole
SMILESCc1nn2c(c1-c1ccc(C(F)(F)F)cc1)C(c1ccc(F)cc1F)=NC2
InChIInChI=1S/C19H12F5N3/c1-10-16(11-2-4-12(5-3-11)19(22,23)24)18-17(25-9-27(18)26-10)14-7-6-13(20)8-15(14)21/h2-8H,9H2,1H3
InChIKeyQRWIYSGXHAQROS-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.96
Rot. Bonds2

About 4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole

4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole (PubChem CID 141219344) has the molecular formula C19H12F5N3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole
PubChem CID141219344
Molecular FormulaC19H12F5N3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole
SMILESCc1nn2c(c1-c1ccc(C(F)(F)F)cc1)C(c1ccc(F)cc1F)=NC2
InChIInChI=1S/C19H12F5N3/c1-10-16(11-2-4-12(5-3-11)19(22,23)24)18-17(25-9-27(18)26-10)14-7-6-13(20)8-15(14)21/h2-8H,9H2,1H3
InChIKeyQRWIYSGXHAQROS-UHFFFAOYSA-N
XLogP4.96
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole
CID 141350142
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline
CID 118801806
2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
CID 123582186
3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol
CID 53221990
4,5-bis[3,5-bis(trifluoromethyl)phenyl]-3-methyl-1-phenylpyrazole
CID 102137364
1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
CID 169072232
7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 45496355
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene
CID 145466180
1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
CID 134631184
4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole
CID 102168707
3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1,2,4-triazole
CID 163359380

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole?
The IUPAC name of 4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole (CID 141219344) is 4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole is Cc1nn2c(c1-c1ccc(C(F)(F)F)cc1)C(c1ccc(F)cc1F)=NC2.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole?
The InChIKey is QRWIYSGXHAQROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3/c1-10-16(11-2-4-12(5-3-11)19(22,23)24)18-17(25-9-27(18)26-10)14-7-6-13(20)8-15(14)21/h2-8H,9H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole?
4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole has a molecular weight of 377.32 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole is sourced from PubChem (CID 141219344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).