3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H11BrFN3O — CID 82273505

IUPAC3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(Br)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C14H11BrFN3O/c1-8-10(6-9-4-2-3-5-12(9)16)14(20)19-13(18-8)11(15)7-17-19/h2-5,7,17H,6H2,1H3
InChIKeyGKSBNJHBRNNMIM-UHFFFAOYSA-N
MW336.16 g/mol
LogP2.82
Rot. Bonds2

About 3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273505) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273505
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(Br)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C14H11BrFN3O/c1-8-10(6-9-4-2-3-5-12(9)16)14(20)19-13(18-8)11(15)7-17-19/h2-5,7,17H,6H2,1H3
InChIKeyGKSBNJHBRNNMIM-UHFFFAOYSA-N
XLogP2.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82273441
3-bromo-6-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273508
6-[(2-fluorophenyl)methyl]-5-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273470
N-cyclopropyl-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3638187
6-(2-aminoethyl)-3-bromo-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82625684
ethyl 6-[(2-fluorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82273376
6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82273430
6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273493
5-methyl-3-phenyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273454
3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273338
6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5051328
N-(4-fluorophenyl)-2-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 42739282

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273505) is 3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(Br)c[nH]n2c(=O)c1Cc1ccccc1F.
What is the InChIKey of 3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GKSBNJHBRNNMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c1-8-10(6-9-4-2-3-5-12(9)16)14(20)19-13(18-8)11(15)7-17-19/h2-5,7,17H,6H2,1H3.
What are the key properties of 3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 336.16 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).