ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate

C17H19N3O3 — CID 71797822

IUPACethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)C3CC=CCC3)cc12
InChIInChI=1S/C17H19N3O3/c1-2-23-17(22)14-11-18-20-9-8-13(10-15(14)20)19-16(21)12-6-4-3-5-7-12/h3-4,8-12H,2,5-7H2,1H3,(H,19,21)
InChIKeyCWLPMFLTSXIFMQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.81
Rot. Bonds4

About ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797822) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797822
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Nameethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)C3CC=CCC3)cc12
InChIInChI=1S/C17H19N3O3/c1-2-23-17(22)14-11-18-20-9-8-13(10-15(14)20)19-16(21)12-6-4-3-5-7-12/h3-4,8-12H,2,5-7H2,1H3,(H,19,21)
InChIKeyCWLPMFLTSXIFMQ-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797822) is ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)C3CC=CCC3)cc12.
What is the InChIKey of ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is CWLPMFLTSXIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-23-17(22)14-11-18-20-9-8-13(10-15(14)20)19-16(21)12-6-4-3-5-7-12/h3-4,8-12H,2,5-7H2,1H3,(H,19,21).
What are the key properties of ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).