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

C9H9N3O3 — CID 43839796

IUPAC2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(=O)n2[nH]c(C)c(C(=O)O)c2n1
InChIInChI=1S/C9H9N3O3/c1-4-3-6(13)12-8(10-4)7(9(14)15)5(2)11-12/h3,11H,1-2H3,(H,14,15)
InChIKeyHBMPOORAOWRZKQ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.34
Rot. Bonds1

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

2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 43839796) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID43839796
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(=O)n2[nH]c(C)c(C(=O)O)c2n1
InChIInChI=1S/C9H9N3O3/c1-4-3-6(13)12-8(10-4)7(9(14)15)5(2)11-12/h3,11H,1-2H3,(H,14,15)
InChIKeyHBMPOORAOWRZKQ-UHFFFAOYSA-N
XLogP0.34
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 114514470
3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1091466
6-[(4-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82273286
2-anilino-N-(1,3-benzothiazol-2-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46935216
6-methyl-5H-imidazo[1,2-b]pyrazole-7-carboxylic acid
CID 82414740
7-methyl-2-sulfanylidene-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 1485814
3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2810240
2-[1,2-dihydroxy-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14985283
3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82503557
ethyl 2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 95144945
CID 156868790
CID 156868790
1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 102549141

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 43839796) is 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1cc(=O)n2[nH]c(C)c(C(=O)O)c2n1.
What is the InChIKey of 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is HBMPOORAOWRZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-4-3-6(13)12-8(10-4)7(9(14)15)5(2)11-12/h3,11H,1-2H3,(H,14,15).
What are the key properties of 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 43839796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).