2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H12BrN3O — CID 810752

IUPAC2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3ccc(Br)cc3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H12BrN3O/c1-8-9(2)16-13-7-12(17-18(13)14(8)19)10-3-5-11(15)6-4-10/h3-7,17H,1-2H3
InChIKeyZFMWHMSVJFWQMP-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.07
Rot. Bonds1

About 2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 810752) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID810752
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3ccc(Br)cc3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H12BrN3O/c1-8-9(2)16-13-7-12(17-18(13)14(8)19)10-3-5-11(15)6-4-10/h3-7,17H,1-2H3
InChIKeyZFMWHMSVJFWQMP-UHFFFAOYSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 810752) is 2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(-c3ccc(Br)cc3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZFMWHMSVJFWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-8-9(2)16-13-7-12(17-18(13)14(8)19)10-3-5-11(15)6-4-10/h3-7,17H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 318.17 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 810752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).