5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C12H7Cl2F3N6 — CID 170633040

IUPAC5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESFC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-n2cc(Cl)cn2)n1
InChIInChI=1S/C12H7Cl2F3N6/c13-7-1-18-10(19-2-7)6-22-5-9(12(15,16)17)21-11(22)23-4-8(14)3-20-23/h1-5H,6H2
InChIKeyQXTOFGOIIIGOTB-UHFFFAOYSA-N
MW363.13 g/mol
LogP3.23
Rot. Bonds3

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

5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 170633040) has the molecular formula C12H7Cl2F3N6 and a molecular weight of 363.13 g/mol. Its IUPAC name is 5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID170633040
Molecular FormulaC12H7Cl2F3N6
Molecular Weight363.13 g/mol
Exact Mass362.01
IUPAC Name5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESFC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-n2cc(Cl)cn2)n1
InChIInChI=1S/C12H7Cl2F3N6/c13-7-1-18-10(19-2-7)6-22-5-9(12(15,16)17)21-11(22)23-4-8(14)3-20-23/h1-5H,6H2
InChIKeyQXTOFGOIIIGOTB-UHFFFAOYSA-N
XLogP3.23
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(8-Chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 86674653
6-Chloro-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine
CID 166104040
6-Chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
CID 166104103
6-Chloro-1-(1,1-difluoropropan-2-yl)pyrazolo[3,4-b]pyrazine
CID 168208090
5-Chloro-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
CID 168209114
6-Chloro-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyrazine
CID 168209266
1-(2,2-Difluoroethyl)-6-pyrrolidin-1-ylpyrazolo[3,4-b]pyrazine
CID 168210240
2-[[2-Bromo-4-(difluoromethyl)imidazol-1-yl]methyl]-5-chloropyrimidine
CID 168228963
5-Chloro-2-[[2-iodo-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 168228977
5-Chloro-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 168228991
5-Chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633050
5-Chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633055

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 170633040) is 5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is FC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-n2cc(Cl)cn2)n1.
What is the InChIKey of 5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is QXTOFGOIIIGOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N6/c13-7-1-18-10(19-2-7)6-22-5-9(12(15,16)17)21-11(22)23-4-8(14)3-20-23/h1-5H,6H2.
What are the key properties of 5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 363.13 g/mol, XLogP of 3.23, 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-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 170633040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).