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

C13H9Cl2F3N6 — CID 170633050

IUPAC5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCn1cc(Cl)c(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)n1
InChIInChI=1S/C13H9Cl2F3N6/c1-23-4-8(15)11(22-23)12-21-9(13(16,17)18)5-24(12)6-10-19-2-7(14)3-20-10/h2-5H,6H2,1H3
InChIKeyKBTVHGUYHLFTHO-UHFFFAOYSA-N
MW377.16 g/mol
LogP3.45
Rot. Bonds3

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

5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 170633050) has the molecular formula C13H9Cl2F3N6 and a molecular weight of 377.16 g/mol. Its IUPAC name is 5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID170633050
Molecular FormulaC13H9Cl2F3N6
Molecular Weight377.16 g/mol
Exact Mass376.02
IUPAC Name5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCn1cc(Cl)c(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)n1
InChIInChI=1S/C13H9Cl2F3N6/c1-23-4-8(15)11(22-23)12-21-9(13(16,17)18)5-24(12)6-10-19-2-7(14)3-20-10/h2-5H,6H2,1H3
InChIKeyKBTVHGUYHLFTHO-UHFFFAOYSA-N
XLogP3.45
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.16
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56871387
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 132381942
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 138018656
5-chloro-4-N-(2,2-difluoroethyl)-2-N-(1,5-dimethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 71612465
4,6-Dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine
CID 114554011
4-chloro-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 135374480
6-Chloro-1-ethyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazine
CID 168209908
6-Chloro-1-(2,2-difluoroethyl)-3-methylpyrazolo[3,4-b]pyrazine
CID 168210097
5-Chloro-2-[[2-(4-chloropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633040
5-Chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]-1,4-dihydropyrimidine
CID 170633047
5-Chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633055
5-Chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633062

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 170633050) is 5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Cn1cc(Cl)c(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)n1.
What is the InChIKey of 5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is KBTVHGUYHLFTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N6/c1-23-4-8(15)11(22-23)12-21-9(13(16,17)18)5-24(12)6-10-19-2-7(14)3-20-10/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 377.16 g/mol, XLogP of 3.45, 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-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 170633050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).