2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H14ClN3O — CID 761950

IUPAC2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O
InChIInChI=1S/C15H14ClN3O/c1-3-12-9(2)17-14-8-13(18-19(14)15(12)20)10-4-6-11(16)7-5-10/h4-8,18H,3H2,1-2H3
InChIKeyBQGULYXQMSQQNW-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.21
Rot. Bonds2

About 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 761950) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID761950
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O
InChIInChI=1S/C15H14ClN3O/c1-3-12-9(2)17-14-8-13(18-19(14)15(12)20)10-4-6-11(16)7-5-10/h4-8,18H,3H2,1-2H3
InChIKeyBQGULYXQMSQQNW-UHFFFAOYSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 761950) is 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BQGULYXQMSQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-3-12-9(2)17-14-8-13(18-19(14)15(12)20)10-4-6-11(16)7-5-10/h4-8,18H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 287.75 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 761950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).