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

C12H7ClF4N6 — CID 176842788

IUPAC5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESFc1cnn(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)c1
InChIInChI=1S/C12H7ClF4N6/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
InChIKeySSSOOEPQBJEFLR-UHFFFAOYSA-N
MW346.68 g/mol
LogP2.72
Rot. Bonds3

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

5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 176842788) has the molecular formula C12H7ClF4N6 and a molecular weight of 346.68 g/mol. Its IUPAC name is 5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID176842788
Molecular FormulaC12H7ClF4N6
Molecular Weight346.68 g/mol
Exact Mass346.04
IUPAC Name5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESFc1cnn(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)c1
InChIInChI=1S/C12H7ClF4N6/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
InChIKeySSSOOEPQBJEFLR-UHFFFAOYSA-N
XLogP2.72
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.68
LogP ≤ 52.72
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-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 176842788) is 5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Fc1cnn(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is SSSOOEPQBJEFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF4N6/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-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 346.68 g/mol, XLogP of 2.72, 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-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 176842788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).