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

C14H12ClF3N6 — CID 170633080

IUPAC5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCc1c(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cnn1C
InChIInChI=1S/C14H12ClF3N6/c1-8-10(5-21-23(8)2)13-22-11(14(16,17)18)6-24(13)7-12-19-3-9(15)4-20-12/h3-6H,7H2,1-2H3
InChIKeySHHPEWXZSISOCU-UHFFFAOYSA-N
MW356.74 g/mol
LogP3.10
Rot. Bonds3

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

5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 170633080) has the molecular formula C14H12ClF3N6 and a molecular weight of 356.74 g/mol. Its IUPAC name is 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID170633080
Molecular FormulaC14H12ClF3N6
Molecular Weight356.74 g/mol
Exact Mass356.08
IUPAC Name5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCc1c(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cnn1C
InChIInChI=1S/C14H12ClF3N6/c1-8-10(5-21-23(8)2)13-22-11(14(16,17)18)6-24(13)7-12-19-3-9(15)4-20-12/h3-6H,7H2,1-2H3
InChIKeySHHPEWXZSISOCU-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 170633080) is 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Cc1c(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cnn1C.
What is the InChIKey of 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is SHHPEWXZSISOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N6/c1-8-10(5-21-23(8)2)13-22-11(14(16,17)18)6-24(13)7-12-19-3-9(15)4-20-12/h3-6H,7H2,1-2H3.
What are the key properties of 5-chloro-2-[[2-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(1,5-dimethylpyrazol-4-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-(1,5-dimethylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 170633080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).