2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H12BrN3O — CID 1081354

IUPAC2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)[nH]n12
InChIInChI=1S/C18H12BrN3O/c19-14-8-6-13(7-9-14)16-10-17-20-15(11-18(23)22(17)21-16)12-4-2-1-3-5-12/h1-11,21H
InChIKeyUZFTYOAKKTZOQO-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.12
Rot. Bonds2

About 2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1081354) has the molecular formula C18H12BrN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1081354
Molecular FormulaC18H12BrN3O
Molecular Weight366.22 g/mol
Exact Mass365.02
IUPAC Name2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)[nH]n12
InChIInChI=1S/C18H12BrN3O/c19-14-8-6-13(7-9-14)16-10-17-20-15(11-18(23)22(17)21-16)12-4-2-1-3-5-12/h1-11,21H
InChIKeyUZFTYOAKKTZOQO-UHFFFAOYSA-N
XLogP4.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
2-(4-Fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 1232838
5-Phenyl-2-m-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 2857627
5-ethyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17584764
5-Propyl-2-p-tolyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 652947
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
3-(4-bromophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 16422017

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1081354) is 2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)[nH]n12.
What is the InChIKey of 2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UZFTYOAKKTZOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O/c19-14-8-6-13(7-9-14)16-10-17-20-15(11-18(23)22(17)21-16)12-4-2-1-3-5-12/h1-11,21H.
What are the key properties of 2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 366.22 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1081354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).