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

C22H20ClN3O2 — CID 17027570

IUPAC6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)c(Cc4ccccc4Cl)c(C)nc23)cc1
InChIInChI=1S/C22H20ClN3O2/c1-13-18(12-16-6-4-5-7-19(16)23)22(27)26-21(24-13)20(14(2)25-26)15-8-10-17(28-3)11-9-15/h4-11,25H,12H2,1-3H3
InChIKeyPDERKOZBJXMUML-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.56
Rot. Bonds4

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

6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 17027570) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID17027570
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)c(Cc4ccccc4Cl)c(C)nc23)cc1
InChIInChI=1S/C22H20ClN3O2/c1-13-18(12-16-6-4-5-7-19(16)23)22(27)26-21(24-13)20(14(2)25-26)15-8-10-17(28-3)11-9-15/h4-11,25H,12H2,1-3H3
InChIKeyPDERKOZBJXMUML-UHFFFAOYSA-N
XLogP4.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-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 6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 17027570) is 6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)[nH]n3c(=O)c(Cc4ccccc4Cl)c(C)nc23)cc1.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PDERKOZBJXMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-13-18(12-16-6-4-5-7-19(16)23)22(27)26-21(24-13)20(14(2)25-26)15-8-10-17(28-3)11-9-15/h4-11,25H,12H2,1-3H3.
What are the key properties of 6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 393.87 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17027570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).