2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C15H13N3O4 — CID 82271458

IUPAC2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCOc1cccc(-c2cc3n(C)c(C(=O)O)cc(=O)n3n2)c1
InChIInChI=1S/C15H13N3O4/c1-17-12(15(20)21)8-14(19)18-13(17)7-11(16-18)9-4-3-5-10(6-9)22-2/h3-8H,1-2H3,(H,20,21)
InChIKeyUIHKLGMXWTYPKL-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.41
Rot. Bonds3

About 2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271458) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271458
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCOc1cccc(-c2cc3n(C)c(C(=O)O)cc(=O)n3n2)c1
InChIInChI=1S/C15H13N3O4/c1-17-12(15(20)21)8-14(19)18-13(17)7-11(16-18)9-4-3-5-10(6-9)22-2/h3-8H,1-2H3,(H,20,21)
InChIKeyUIHKLGMXWTYPKL-UHFFFAOYSA-N
XLogP1.41
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271463
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 139389914
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785224
3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
CID 53030478
3-(3-methoxyphenyl)-1-methyl-N,N-dipropylpyrazole-5-carboxamide
CID 42758721
N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093243
N-(2-fluorophenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53030469
3,4-dihydro-1H-isoquinolin-2-yl-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42758731
4-(3-methoxyphenyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-6-carboxylic acid
CID 19916266
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371025
3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 82370914

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271458) is 2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is COc1cccc(-c2cc3n(C)c(C(=O)O)cc(=O)n3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is UIHKLGMXWTYPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-17-12(15(20)21)8-14(19)18-13(17)7-11(16-18)9-4-3-5-10(6-9)22-2/h3-8H,1-2H3,(H,20,21).
What are the key properties of 2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).