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

C13H10ClF3N6 — CID 176842770

IUPAC5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCc1ccn(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)n1
InChIInChI=1S/C13H10ClF3N6/c1-8-2-3-23(21-8)12-20-10(13(15,16)17)6-22(12)7-11-18-4-9(14)5-19-11/h2-6H,7H2,1H3
InChIKeyGSEROADEFVVNKM-UHFFFAOYSA-N
MW342.71 g/mol
LogP2.89
Rot. Bonds3

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

5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 176842770) has the molecular formula C13H10ClF3N6 and a molecular weight of 342.71 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID176842770
Molecular FormulaC13H10ClF3N6
Molecular Weight342.71 g/mol
Exact Mass342.06
IUPAC Name5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCc1ccn(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)n1
InChIInChI=1S/C13H10ClF3N6/c1-8-2-3-23(21-8)12-20-10(13(15,16)17)6-22(12)7-11-18-4-9(14)5-19-11/h2-6H,7H2,1H3
InChIKeyGSEROADEFVVNKM-UHFFFAOYSA-N
XLogP2.89
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 52.89
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-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 176842770) is 5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Cc1ccn(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)n1.
What is the InChIKey of 5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is GSEROADEFVVNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N6/c1-8-2-3-23(21-8)12-20-10(13(15,16)17)6-22(12)7-11-18-4-9(14)5-19-11/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 342.71 g/mol, XLogP of 2.89, 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-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 176842770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).