5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H7BrF3N3O — CID 170453342

IUPAC5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2cccc(Br)c2)nc2cc(C(F)(F)F)[nH]n12
InChIInChI=1S/C13H7BrF3N3O/c14-8-3-1-2-7(4-8)9-5-12(21)20-11(18-9)6-10(19-20)13(15,16)17/h1-6,19H
InChIKeyMYALXKFAMHOEOD-UHFFFAOYSA-N
MW358.12 g/mol
LogP3.47
Rot. Bonds1

About 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 170453342) has the molecular formula C13H7BrF3N3O and a molecular weight of 358.12 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID170453342
Molecular FormulaC13H7BrF3N3O
Molecular Weight358.12 g/mol
Exact Mass356.97
IUPAC Name5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2cccc(Br)c2)nc2cc(C(F)(F)F)[nH]n12
InChIInChI=1S/C13H7BrF3N3O/c14-8-3-1-2-7(4-8)9-5-12(21)20-11(18-9)6-10(19-20)13(15,16)17/h1-6,19H
InChIKeyMYALXKFAMHOEOD-UHFFFAOYSA-N
XLogP3.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
2-(4-Bromo-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 1081354
2-(4-Fluoro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 647063
2-(4-bromophenyl)-5-propylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 694372
2-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 757923
2-(3-bromophenyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 761946
2-(4-Bromophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
CID 819052
2-(3-Bromo-phenyl)-5-propyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761944
2-(4-Bromo-phenyl)-6-chloro-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 810755
2-(3-Bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 627570
2-(3-bromophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 694716

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 170453342) is 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2cccc(Br)c2)nc2cc(C(F)(F)F)[nH]n12.
What is the InChIKey of 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MYALXKFAMHOEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3O/c14-8-3-1-2-7(4-8)9-5-12(21)20-11(18-9)6-10(19-20)13(15,16)17/h1-6,19H.
What are the key properties of 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 358.12 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 170453342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).