3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H13N3O — CID 82274273

IUPAC3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(Cc3ccccc3)c2n1
InChIInChI=1S/C14H13N3O/c1-10-7-13(18)17-14(16-10)12(9-15-17)8-11-5-3-2-4-6-11/h2-7,9,15H,8H2,1H3
InChIKeyCEXWTUBMBRIBJD-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.92
Rot. Bonds2

About 3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82274273) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82274273
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(Cc3ccccc3)c2n1
InChIInChI=1S/C14H13N3O/c1-10-7-13(18)17-14(16-10)12(9-15-17)8-11-5-3-2-4-6-11/h2-7,9,15H,8H2,1H3
InChIKeyCEXWTUBMBRIBJD-UHFFFAOYSA-N
XLogP1.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82503557
N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926751
N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4548099
N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926774
2-benzyl-6-methyl-3-phenylpyrimidin-4-one
CID 13280786
3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22029345
3-(3,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274180
5-(2-phenylethyl)-3-(piperazin-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98127479
5-methyl-3-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 170511258
3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274288
N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46507716
3-[5-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167752946

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82274273) is 3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]cc(Cc3ccccc3)c2n1.
What is the InChIKey of 3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CEXWTUBMBRIBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-7-13(18)17-14(16-10)12(9-15-17)8-11-5-3-2-4-6-11/h2-7,9,15H,8H2,1H3.
What are the key properties of 3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 239.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82274273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).