2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one

C12H7BrF3N5O — CID 59603707

IUPAC2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
SMILESO=c1c(-n2cnc(C(F)(F)F)c2)c[nH]n1-c1ccc(Br)cn1
InChIInChI=1S/C12H7BrF3N5O/c13-7-1-2-10(17-3-7)21-11(22)8(4-19-21)20-5-9(18-6-20)12(14,15)16/h1-6,19H
InChIKeyFQFLXDBXSKHSTO-UHFFFAOYSA-N
MW374.12 g/mol
LogP2.53
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one

2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one (PubChem CID 59603707) has the molecular formula C12H7BrF3N5O and a molecular weight of 374.12 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
PubChem CID59603707
Molecular FormulaC12H7BrF3N5O
Molecular Weight374.12 g/mol
Exact Mass372.98
IUPAC Name2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
SMILESO=c1c(-n2cnc(C(F)(F)F)c2)c[nH]n1-c1ccc(Br)cn1
InChIInChI=1S/C12H7BrF3N5O/c13-7-1-2-10(17-3-7)21-11(22)8(4-19-21)20-5-9(18-6-20)12(14,15)16/h1-6,19H
InChIKeyFQFLXDBXSKHSTO-UHFFFAOYSA-N
XLogP2.53
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.12
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 70300519
2-(5-bromo-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 59186977
2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one
CID 59603695
1-(2-fluorophenyl)-4-(trifluoromethyl)imidazole
CID 154447473
2-(5-bromo-2-pyridinyl)-5-(difluoromethyl)-1H-pyrazol-3-one
CID 66022981
2-(5-bromo-2-pyridinyl)-5-tert-butyl-1H-pyrazol-3-one
CID 66022773
2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine
CID 88920212
5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
CID 166174831
6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 59603606
5-bromo-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 84814969
[1-(5-bromo-2-pyridinyl)imidazol-4-yl]methanol
CID 68511931
2-[5-(hydroxymethyl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]-1,3-dihydropyrazole-3-carbaldehyde
CID 174601228

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one (CID 59603707) is 2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one is O=c1c(-n2cnc(C(F)(F)F)c2)c[nH]n1-c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one?
The InChIKey is FQFLXDBXSKHSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N5O/c13-7-1-2-10(17-3-7)21-11(22)8(4-19-21)20-5-9(18-6-20)12(14,15)16/h1-6,19H.
What are the key properties of 2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one?
2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one has a molecular weight of 374.12 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one is sourced from PubChem (CID 59603707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).