2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C10H9N3O4 — CID 68975228

IUPAC2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCOC(=O)c1nn2ccc(C(=O)O)nc2c1C
InChIInChI=1S/C10H9N3O4/c1-5-7(10(16)17-2)12-13-4-3-6(9(14)15)11-8(5)13/h3-4H,1-2H3,(H,14,15)
InChIKeyLBRTWEVZBJIHOU-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.52
Rot. Bonds2

About 2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 68975228) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID68975228
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCOC(=O)c1nn2ccc(C(=O)O)nc2c1C
InChIInChI=1S/C10H9N3O4/c1-5-7(10(16)17-2)12-13-4-3-6(9(14)15)11-8(5)13/h3-4H,1-2H3,(H,14,15)
InChIKeyLBRTWEVZBJIHOU-UHFFFAOYSA-N
XLogP0.52
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid
CID 176920520
1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid
CID 66457610
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)pyrazole-3-carboxylic acid
CID 154669468
1-(4-methoxycarbonylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82361682
methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989721
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105457173
5-methoxypyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69239446
8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 70244486
1-acetylpyrazole-3-carboxylic acid
CID 1270469
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117254518

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 68975228) is 2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is COC(=O)c1nn2ccc(C(=O)O)nc2c1C.
What is the InChIKey of 2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is LBRTWEVZBJIHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-5-7(10(16)17-2)12-13-4-3-6(9(14)15)11-8(5)13/h3-4H,1-2H3,(H,14,15).
What are the key properties of 2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 68975228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).