7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole

C19H12F5N3 — CID 141350142

IUPAC7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole
SMILESCc1nn2c(c1-c1ccc(F)cc1F)N=C(c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H12F5N3/c1-10-17(14-7-6-13(20)8-15(14)21)18-25-16(9-27(18)26-10)11-2-4-12(5-3-11)19(22,23)24/h2-8H,9H2,1H3
InChIKeyCKZUVCHDDXGWIB-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.29
Rot. Bonds2

About 7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole

7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole (PubChem CID 141350142) has the molecular formula C19H12F5N3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole
PubChem CID141350142
Molecular FormulaC19H12F5N3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole
SMILESCc1nn2c(c1-c1ccc(F)cc1F)N=C(c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H12F5N3/c1-10-17(14-7-6-13(20)8-15(14)21)18-25-16(9-27(18)26-10)11-2-4-12(5-3-11)19(22,23)24/h2-8H,9H2,1H3
InChIKeyCKZUVCHDDXGWIB-UHFFFAOYSA-N
XLogP5.29
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]-6H-imidazo[5,1-e]pyrazole
CID 141219344
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline
CID 118801806
1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
CID 142653978
2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
CID 123582186
2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 11630778
3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol
CID 53221990
4-(2,4-difluorophenyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67343027
7-(2,4-difluorophenyl)-8-phenyl-4-[4-(trifluoromethyl)phenyl]-1,5-diazabicyclo[4.2.0]oct-4-en-2-one
CID 123384918
1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3672642
6-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridine;6-[2-(4-chlorophenyl)pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 158794093
3-(4-chloro-2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 117063312

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole?
The IUPAC name of 7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole (CID 141350142) is 7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole.
What is the SMILES notation for 7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole?
The canonical SMILES for 7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole is Cc1nn2c(c1-c1ccc(F)cc1F)N=C(c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole?
The InChIKey is CKZUVCHDDXGWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3/c1-10-17(14-7-6-13(20)8-15(14)21)18-25-16(9-27(18)26-10)11-2-4-12(5-3-11)19(22,23)24/h2-8H,9H2,1H3.
What are the key properties of 7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole?
7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole has a molecular weight of 377.32 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-3H-imidazo[2,1-e]pyrazole is sourced from PubChem (CID 141350142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).