2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C19H26N2 — CID 178040741

IUPAC2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESC/C=C\C(=C/C(=C/CC)C1CC1)c1cc2n(n1)CCCC2
InChIInChI=1S/C19H26N2/c1-3-7-16(15-10-11-15)13-17(8-4-2)19-14-18-9-5-6-12-21(18)20-19/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3/b8-4-,16-7-,17-13+
InChIKeyFCMWZBOMZDKZKV-ZJMOITNASA-N
MW282.43 g/mol
LogP4.93
Rot. Bonds5

About 2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 178040741) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID178040741
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESC/C=C\C(=C/C(=C/CC)C1CC1)c1cc2n(n1)CCCC2
InChIInChI=1S/C19H26N2/c1-3-7-16(15-10-11-15)13-17(8-4-2)19-14-18-9-5-6-12-21(18)20-19/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3/b8-4-,16-7-,17-13+
InChIKeyFCMWZBOMZDKZKV-ZJMOITNASA-N
XLogP4.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 178040741) is 2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is C/C=C\C(=C/C(=C/CC)C1CC1)c1cc2n(n1)CCCC2.
What is the InChIKey of 2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is FCMWZBOMZDKZKV-ZJMOITNASA-N. The full InChI is InChI=1S/C19H26N2/c1-3-7-16(15-10-11-15)13-17(8-4-2)19-14-18-9-5-6-12-21(18)20-19/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3/b8-4-,16-7-,17-13+.
What are the key properties of 2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 282.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 178040741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).