3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H13BrFN3O — CID 82273338

IUPAC3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(Br)c(C)[nH]n2c(=O)c1Cc1ccc(F)cc1
InChIInChI=1S/C15H13BrFN3O/c1-8-12(7-10-3-5-11(17)6-4-10)15(21)20-14(18-8)13(16)9(2)19-20/h3-6,19H,7H2,1-2H3
InChIKeyYGLKZZYIGIIXPS-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.13
Rot. Bonds2

About 3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273338) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273338
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(Br)c(C)[nH]n2c(=O)c1Cc1ccc(F)cc1
InChIInChI=1S/C15H13BrFN3O/c1-8-12(7-10-3-5-11(17)6-4-10)15(21)20-14(18-8)13(16)9(2)19-20/h3-6,19H,7H2,1-2H3
InChIKeyYGLKZZYIGIIXPS-UHFFFAOYSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273508
3-bromo-2,5-dimethyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273344
6-benzyl-2,5-dimethyl-3-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155184493
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
6-[(4-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82273286
6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 157439431
3-bromo-6-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273505
5-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 3422239
3-(4-bromophenyl)-6-(2-hydroxyethyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17147858
ethyl 6-[(2-fluorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82273376
6-chloro-3-(4-fluorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1447958

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273338) is 3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(Br)c(C)[nH]n2c(=O)c1Cc1ccc(F)cc1.
What is the InChIKey of 3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YGLKZZYIGIIXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O/c1-8-12(7-10-3-5-11(17)6-4-10)15(21)20-14(18-8)13(16)9(2)19-20/h3-6,19H,7H2,1-2H3.
What are the key properties of 3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 350.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).