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

C21H18ClN3O2 — CID 1370213

IUPAC6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(Cc2[nH]n3c(=O)c(Cl)c(C)nc3c2-c2ccccc2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-19(22)21(26)25-20(23-13)18(15-6-4-3-5-7-15)17(24-25)12-14-8-10-16(27-2)11-9-14/h3-11,24H,12H2,1-2H3
InChIKeyJMLXAUOPYMTLPO-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.25
Rot. Bonds4

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

6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1370213) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1370213
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(Cc2[nH]n3c(=O)c(Cl)c(C)nc3c2-c2ccccc2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-19(22)21(26)25-20(23-13)18(15-6-4-3-5-7-15)17(24-25)12-14-8-10-16(27-2)11-9-14/h3-11,24H,12H2,1-2H3
InChIKeyJMLXAUOPYMTLPO-UHFFFAOYSA-N
XLogP4.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-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

Related Compounds

5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 971409
2-(3-Methoxyphenyl)-5-phenylpyrazolo[1,5-A]pyrimidin-7-OL
CID 2818874
2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879313
2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-phenyl-1H-pyrimidin-4-one
CID 135437680
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
2-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
CID 807711
5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 3156107
6-butyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457434
6-ethyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 977455
6-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1291628
3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 3157234
3-(4-methoxyphenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 867736

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1370213) is 6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(Cc2[nH]n3c(=O)c(Cl)c(C)nc3c2-c2ccccc2)cc1.
What is the InChIKey of 6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JMLXAUOPYMTLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-19(22)21(26)25-20(23-13)18(15-6-4-3-5-7-15)17(24-25)12-14-8-10-16(27-2)11-9-14/h3-11,24H,12H2,1-2H3.
What are the key properties of 6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 379.85 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1370213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).