3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H15ClN4O2 — CID 92606158

IUPAC3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C19H15ClN4O2/c1-11-17(12-5-7-13(20)8-6-12)18-22-15(10-16(25)24(18)23-11)14-4-3-9-21-19(14)26-2/h3-10,23H,1-2H3
InChIKeyZWAGCVHXQYLCPT-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.72
Rot. Bonds3

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

3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92606158) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92606158
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C19H15ClN4O2/c1-11-17(12-5-7-13(20)8-6-12)18-22-15(10-16(25)24(18)23-11)14-4-3-9-21-19(14)26-2/h3-10,23H,1-2H3
InChIKeyZWAGCVHXQYLCPT-UHFFFAOYSA-N
XLogP3.72
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134347358
3-(4-chlorophenyl)-5-[3-(6-methoxypyridin-3-yl)phenyl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130192977
2-(2-chlorophenyl)-6-[(6-methoxy-3-pyridyl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 53183918
5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925382
3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925399
5-(4-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925473
5-(2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925492
5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925685
2-(2-chlorophenyl)-7-[(6-methoxy-3-pyridyl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53184095
5-[(3,4-dichlorophenyl)methyl]-2-(2-methoxypyridin-3-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137046841
2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-(6-methoxypyridin-3-yl)-1H-pyrimidin-6-one
CID 137223696
2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)pyridin-3-yl]-1H-pyrimidin-6-one
CID 137223758

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92606158) is 3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ncccc1-c1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZWAGCVHXQYLCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-11-17(12-5-7-13(20)8-6-12)18-22-15(10-16(25)24(18)23-11)14-4-3-9-21-19(14)26-2/h3-10,23H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 366.81 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92606158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).