5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C14H12ClF3N6 — CID 176842769

IUPAC5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCc1cc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)n(C)n1
InChIInChI=1S/C14H12ClF3N6/c1-8-3-10(23(2)22-8)13-21-11(14(16,17)18)6-24(13)7-12-19-4-9(15)5-20-12/h3-6H,7H2,1-2H3
InChIKeyXCNWAFKPPKXQCC-UHFFFAOYSA-N
MW356.74 g/mol
LogP3.10
Rot. Bonds3

About 5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 176842769) has the molecular formula C14H12ClF3N6 and a molecular weight of 356.74 g/mol. Its IUPAC name is 5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID176842769
Molecular FormulaC14H12ClF3N6
Molecular Weight356.74 g/mol
Exact Mass356.08
IUPAC Name5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCc1cc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)n(C)n1
InChIInChI=1S/C14H12ClF3N6/c1-8-3-10(23(2)22-8)13-21-11(14(16,17)18)6-24(13)7-12-19-4-9(15)5-20-12/h3-6H,7H2,1-2H3
InChIKeyXCNWAFKPPKXQCC-UHFFFAOYSA-N
XLogP3.10
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-Dimethylpyrazolyl)-3-imidazolylpyridazine
CID 2998404
5-methyl-7-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56778102
5-(1-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazol-4-yl)pyrimidine
CID 72850565
2-ethyl-4-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56871387
5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine
CID 97189533
2-[[3,5-Bis(difluoromethyl)pyrazol-1-yl]methyl]-4-methylpyrimidine
CID 132391031
2-[[3,5-Bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyrimidin-5-amine
CID 57552023
2-(4-Fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine
CID 89032520
2-(4-Fluoro-1,3-dimethylpyrazol-5-yl)pyrimidine
CID 117670112
2-(2,5-Dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine
CID 118289708
5-Methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole
CID 122633587
5-Methyl-1-(3-methylimidazol-4-yl)-3-(trifluoromethyl)pyrazole
CID 138654907

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 176842769) is 5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Cc1cc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)n(C)n1.
What is the InChIKey of 5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is XCNWAFKPPKXQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N6/c1-8-3-10(23(2)22-8)13-21-11(14(16,17)18)6-24(13)7-12-19-4-9(15)5-20-12/h3-6H,7H2,1-2H3.
What are the key properties of 5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 356.74 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 176842769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).