4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid

C10H10N2O5 — CID 171689516

IUPAC4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCOC(=O)c1cc2n(n1)CCC(C(=O)O)=C2O
InChIInChI=1S/C10H10N2O5/c1-17-10(16)6-4-7-8(13)5(9(14)15)2-3-12(7)11-6/h4,13H,2-3H2,1H3,(H,14,15)
InChIKeyUBCDAUAOCKWVQK-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.43
Rot. Bonds2

About 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid

4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 171689516) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID171689516
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCOC(=O)c1cc2n(n1)CCC(C(=O)O)=C2O
InChIInChI=1S/C10H10N2O5/c1-17-10(16)6-4-7-8(13)5(9(14)15)2-3-12(7)11-6/h4,13H,2-3H2,1H3,(H,14,15)
InChIKeyUBCDAUAOCKWVQK-UHFFFAOYSA-N
XLogP0.43
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate
CID 171689515
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118705226
sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate
CID 91886851
methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride
CID 119099129
methyl 5-[(4-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475682
methyl 5-[(3-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475692
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid;5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylic acid;methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxylate;methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
CID 158891682
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid
CID 22605296
methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088151
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
CID 141151922

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid (CID 171689516) is 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid is COC(=O)c1cc2n(n1)CCC(C(=O)O)=C2O.
What is the InChIKey of 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is UBCDAUAOCKWVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-17-10(16)6-4-7-8(13)5(9(14)15)2-3-12(7)11-6/h4,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid?
4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 238.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 171689516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).