5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H19N5O2 — CID 46973468

IUPAC5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2[nH]n3c(=O)cc(-c4cnc(C)nc4C)nc3c2C)cc1
InChIInChI=1S/C20H19N5O2/c1-11-19(14-5-7-15(27-4)8-6-14)24-25-18(26)9-17(23-20(11)25)16-10-21-13(3)22-12(16)2/h5-10,24H,1-4H3
InChIKeyLJBYPOCCSWACLK-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.08
Rot. Bonds3

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

5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973468) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973468
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2[nH]n3c(=O)cc(-c4cnc(C)nc4C)nc3c2C)cc1
InChIInChI=1S/C20H19N5O2/c1-11-19(14-5-7-15(27-4)8-6-14)24-25-18(26)9-17(23-20(11)25)16-10-21-13(3)22-12(16)2/h5-10,24H,1-4H3
InChIKeyLJBYPOCCSWACLK-UHFFFAOYSA-N
XLogP3.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-5-(6-methyl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98077329
2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973825
3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168369
2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98139098
5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56854687
3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1091466
3-(4-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92606158
2-chloro-3-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 90321307
3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2810240
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
3-(4-methoxyphenyl)-2-methyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 16674607
2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98133043

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973468) is 5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2[nH]n3c(=O)cc(-c4cnc(C)nc4C)nc3c2C)cc1.
What is the InChIKey of 5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LJBYPOCCSWACLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-11-19(14-5-7-15(27-4)8-6-14)24-25-18(26)9-17(23-20(11)25)16-10-21-13(3)22-12(16)2/h5-10,24H,1-4H3.
What are the key properties of 5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 361.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpyrimidin-5-yl)-2-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).