2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid

C11H13N3O4 — CID 146657429

IUPAC2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
SMILESC=CCn1nc2c(c1C(=O)O)CN(C(=O)O)CC2
InChIInChI=1S/C11H13N3O4/c1-2-4-14-9(10(15)16)7-6-13(11(17)18)5-3-8(7)12-14/h2H,1,3-6H2,(H,15,16)(H,17,18)
InChIKeyLFOCLJYXMGPZGL-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.80
Rot. Bonds3

About 2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid

2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid (PubChem CID 146657429) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
PubChem CID146657429
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
SMILESC=CCn1nc2c(c1C(=O)O)CN(C(=O)O)CC2
InChIInChI=1S/C11H13N3O4/c1-2-4-14-9(10(15)16)7-6-13(11(17)18)5-3-8(7)12-14/h2H,1,3-6H2,(H,15,16)(H,17,18)
InChIKeyLFOCLJYXMGPZGL-UHFFFAOYSA-N
XLogP0.80
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 850411
1H-Pyrazolo(4,3-c)pyridine-3-carboxylic acid, 1-ethyl-4,5,6,7-tetrahydro-
CID 51072296
5-[(tert-butoxy)carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56760813
5-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69238120
2-ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 6498680
5-tert-butyl 3-ethyl 2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
CID 53488065
5-[(tert-butoxy)carbonyl]-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 53488066
1-Ethyl-4,5,6,7-tetrahydro-1H-pyrazolo(4,3-c)pyridine-3-carboxylic acid hydrochloride hydrate
CID 75531047
3-methyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyridine-2-carboxylic acid
CID 84110140
5-(2-methylbutanoyl)-1-(3-phenylpropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56705373
1-(cyclopropylmethyl)-5-{[1-(methoxymethyl)cyclobutyl]carbonyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56721182
5-[(3E)-pent-3-enoyl]-1-(3-phenylpropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56714116

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid (CID 146657429) is 2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid is C=CCn1nc2c(c1C(=O)O)CN(C(=O)O)CC2.
What is the InChIKey of 2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid?
The InChIKey is LFOCLJYXMGPZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-2-4-14-9(10(15)16)7-6-13(11(17)18)5-3-8(7)12-14/h2H,1,3-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid?
2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 146657429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).