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

C13H9ClF4N6 — CID 170633055

IUPAC5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCn1nc(F)cc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C13H9ClF4N6/c1-23-8(2-10(15)22-23)12-21-9(13(16,17)18)5-24(12)6-11-19-3-7(14)4-20-11/h2-5H,6H2,1H3
InChIKeyYUOLCXSYNOLZTN-UHFFFAOYSA-N
MW360.70 g/mol
LogP2.93
Rot. Bonds3

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

5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 170633055) has the molecular formula C13H9ClF4N6 and a molecular weight of 360.70 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID170633055
Molecular FormulaC13H9ClF4N6
Molecular Weight360.70 g/mol
Exact Mass360.05
IUPAC Name5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCn1nc(F)cc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C13H9ClF4N6/c1-23-8(2-10(15)22-23)12-21-9(13(16,17)18)5-24(12)6-11-19-3-7(14)4-20-11/h2-5H,6H2,1H3
InChIKeyYUOLCXSYNOLZTN-UHFFFAOYSA-N
XLogP2.93
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.70
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-Imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 35417569
2-ethyl-4-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56871387
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 138018656
5-(3-Methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 90328794
2-Pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine
CID 121282240
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-(4-chloro-1-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633050
5-Chloro-2-[[2-(3-chloro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633076
5-Chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633080
5-Chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842767
5-Chloro-2-[[2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842769

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 170633055) is 5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Cn1nc(F)cc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is YUOLCXSYNOLZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF4N6/c1-23-8(2-10(15)22-23)12-21-9(13(16,17)18)5-24(12)6-11-19-3-7(14)4-20-11/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 360.70 g/mol, XLogP of 2.93, 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-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 170633055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).