1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole

C8H7F3N4 — CID 22759815

IUPAC1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole
SMILESCn1cc(-c2ncc(C(F)(F)F)[nH]2)cn1
InChIInChI=1S/C8H7F3N4/c1-15-4-5(2-13-15)7-12-3-6(14-7)8(9,10)11/h2-4H,1H3,(H,12,14)
InChIKeyATDAAUBHZRNZNZ-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.83
Rot. Bonds1

About 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole

1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole (PubChem CID 22759815) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole
PubChem CID22759815
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole
SMILESCn1cc(-c2ncc(C(F)(F)F)[nH]2)cn1
InChIInChI=1S/C8H7F3N4/c1-15-4-5(2-13-15)7-12-3-6(14-7)8(9,10)11/h2-4H,1H3,(H,12,14)
InChIKeyATDAAUBHZRNZNZ-UHFFFAOYSA-N
XLogP1.83
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole?
The IUPAC name of 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole (CID 22759815) is 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole.
What is the SMILES notation for 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole?
The canonical SMILES for 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole is Cn1cc(-c2ncc(C(F)(F)F)[nH]2)cn1.
What is the InChIKey of 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole?
The InChIKey is ATDAAUBHZRNZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c1-15-4-5(2-13-15)7-12-3-6(14-7)8(9,10)11/h2-4H,1H3,(H,12,14).
What are the key properties of 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole?
1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole has a molecular weight of 216.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazole is sourced from PubChem (CID 22759815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).