5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C21H25N3O3 — CID 56714116

IUPAC5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESC/C=C/CC(=O)N1CCc2c(c(C(=O)O)nn2CCCc2ccccc2)C1
InChIInChI=1S/C21H25N3O3/c1-2-3-11-19(25)23-14-12-18-17(15-23)20(21(26)27)22-24(18)13-7-10-16-8-5-4-6-9-16/h2-6,8-9H,7,10-15H2,1H3,(H,26,27)/b3-2+
InChIKeySNEYSDLQUGWGOK-NSCUHMNNSA-N
MW367.45 g/mol
LogP3.07
Rot. Bonds7

About 5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56714116) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56714116
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESC/C=C/CC(=O)N1CCc2c(c(C(=O)O)nn2CCCc2ccccc2)C1
InChIInChI=1S/C21H25N3O3/c1-2-3-11-19(25)23-14-12-18-17(15-23)20(21(26)27)22-24(18)13-7-10-16-8-5-4-6-9-16/h2-6,8-9H,7,10-15H2,1H3,(H,26,27)/b3-2+
InChIKeySNEYSDLQUGWGOK-NSCUHMNNSA-N
XLogP3.07
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56714116) is 5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is C/C=C/CC(=O)N1CCc2c(c(C(=O)O)nn2CCCc2ccccc2)C1.
What is the InChIKey of 5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is SNEYSDLQUGWGOK-NSCUHMNNSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-3-11-19(25)23-14-12-18-17(15-23)20(21(26)27)22-24(18)13-7-10-16-8-5-4-6-9-16/h2-6,8-9H,7,10-15H2,1H3,(H,26,27)/b3-2+.
What are the key properties of 5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-pent-3-enoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56714116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).