4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid

C11H13N3O4 — CID 167721036

IUPAC4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
SMILESC=CCOC(=O)N1CCCc2[nH]nc(C(=O)O)c21
InChIInChI=1S/C11H13N3O4/c1-2-6-18-11(17)14-5-3-4-7-9(14)8(10(15)16)13-12-7/h2H,1,3-6H2,(H,12,13)(H,15,16)
InChIKeyPLZGLJLPIQCJLV-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.18
Rot. Bonds3

About 4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid

4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid (PubChem CID 167721036) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
PubChem CID167721036
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
SMILESC=CCOC(=O)N1CCCc2[nH]nc(C(=O)O)c21
InChIInChI=1S/C11H13N3O4/c1-2-6-18-11(17)14-5-3-4-7-9(14)8(10(15)16)13-12-7/h2H,1,3-6H2,(H,12,13)(H,15,16)
InChIKeyPLZGLJLPIQCJLV-UHFFFAOYSA-N
XLogP1.18
TPSA95.52 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 ≤ 51.18
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

prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
ethyl 2-methylidenepyrrolidine-1-carboxylate
CID 15313147
prop-2-enyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108725865
prop-2-enyl 2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylate
CID 15456373
prop-2-enyl 3-oxopyrrolidine-1-carboxylate
CID 15117217
prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate
CID 70521278
4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 167731596
prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate
CID 153289711
tris(prop-2-enyl) 2,4,6-trioxo-1,3,5-triazinane-1,3,5-tricarboxylate
CID 23322606
prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 127503309
prop-2-enyl 2-methyl-1,4-diazepane-1-carboxylate
CID 82241160
spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid
CID 141401711

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid (CID 167721036) is 4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid is C=CCOC(=O)N1CCCc2[nH]nc(C(=O)O)c21.
What is the InChIKey of 4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid?
The InChIKey is PLZGLJLPIQCJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-2-6-18-11(17)14-5-3-4-7-9(14)8(10(15)16)13-12-7/h2H,1,3-6H2,(H,12,13)(H,15,16).
What are the key properties of 4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid?
4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxycarbonyl-1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 167721036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).