3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C20H15Cl2N3O2 — CID 159646342

IUPAC3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)c(Cl)c4)c(C)nn23)c(O)c1
InChIInChI=1S/C20H15Cl2N3O2/c1-10-3-5-13(17(26)7-10)16-9-18(27)23-20-19(11(2)24-25(16)20)12-4-6-14(21)15(22)8-12/h3-9,26H,1-2H3,(H,23,27)
InChIKeyMQZUNDQFJLSNSL-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.99
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 159646342) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID159646342
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)c(Cl)c4)c(C)nn23)c(O)c1
InChIInChI=1S/C20H15Cl2N3O2/c1-10-3-5-13(17(26)7-10)16-9-18(27)23-20-19(11(2)24-25(16)20)12-4-6-14(21)15(22)8-12/h3-9,26H,1-2H3,(H,23,27)
InChIKeyMQZUNDQFJLSNSL-UHFFFAOYSA-N
XLogP4.99
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-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 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 159646342) is 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1ccc(-c2cc(=O)[nH]c3c(-c4ccc(Cl)c(Cl)c4)c(C)nn23)c(O)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is MQZUNDQFJLSNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c1-10-3-5-13(17(26)7-10)16-9-18(27)23-20-19(11(2)24-25(16)20)12-4-6-14(21)15(22)8-12/h3-9,26H,1-2H3,(H,23,27).
What are the key properties of 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 400.27 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 159646342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).