2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C14H11N3O3 — CID 45496297

IUPAC2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1[nH]n2c(=O)c(C(=O)O)cnc2c1-c1ccccc1
InChIInChI=1S/C14H11N3O3/c1-8-11(9-5-3-2-4-6-9)12-15-7-10(14(19)20)13(18)17(12)16-8/h2-7,16H,1H3,(H,19,20)
InChIKeyNPCKPOYFEFIAMS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.70
Rot. Bonds2

About 2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 45496297) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID45496297
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1[nH]n2c(=O)c(C(=O)O)cnc2c1-c1ccccc1
InChIInChI=1S/C14H11N3O3/c1-8-11(9-5-3-2-4-6-9)12-15-7-10(14(19)20)13(18)17(12)16-8/h2-7,16H,1H3,(H,19,20)
InChIKeyNPCKPOYFEFIAMS-UHFFFAOYSA-N
XLogP1.70
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 118607699
2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 3108028
7-methyl-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylic acid
CID 13386488
2,5-dimethyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 158782475
2,5-dimethyl-3-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4897063
5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid
CID 158780230
N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 158611121
11-methyl-10-phenyl-5-(pyridine-4-carbonyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 98074930
N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 160690336
2,5-dimethyl-7-oxo-3-phenyl-N-(2H-pyrrol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 160698471
2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973660
5-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-11-methyl-10-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 98074981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 45496297) is 2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1[nH]n2c(=O)c(C(=O)O)cnc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is NPCKPOYFEFIAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8-11(9-5-3-2-4-6-9)12-15-7-10(14(19)20)13(18)17(12)16-8/h2-7,16H,1H3,(H,19,20).
What are the key properties of 2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 45496297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).