ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C15H25N3 — CID 145116783

IUPACethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESC/C=C\C(=C/CC)c1n[nH]c2c1CNCC2.CC
InChIInChI=1S/C13H19N3.C2H6/c1-3-5-10(6-4-2)13-11-9-14-8-7-12(11)15-16-13;1-2/h3,5-6,14H,4,7-9H2,1-2H3,(H,15,16);1-2H3/b5-3-,10-6+;
InChIKeyZRHCXHIVKRQESN-IULRTABXSA-N
MW247.39 g/mol
LogP3.45
Rot. Bonds3

About ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 145116783) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Nameethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID145116783
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Nameethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESC/C=C\C(=C/CC)c1n[nH]c2c1CNCC2.CC
InChIInChI=1S/C13H19N3.C2H6/c1-3-5-10(6-4-2)13-11-9-14-8-7-12(11)15-16-13;1-2/h3,5-6,14H,4,7-9H2,1-2H3,(H,15,16);1-2H3/b5-3-,10-6+;
InChIKeyZRHCXHIVKRQESN-IULRTABXSA-N
XLogP3.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 16671966
3-phenyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine dihydrochloride
CID 67337450
3-(4-Fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384655
3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
CID 7426764
3-(3-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 44383839
1-Benzyl-4-(5-methyl-1H-pyrazol-3-yl)-piperidine
CID 10587140
1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-3-(4-methylphenyl)-,dihydrochloride
CID 76850833
5-Ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 45265533
3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28750449
3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 6501613
5-Benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 17480733
3-Cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29893263

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 145116783) is ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is C/C=C\C(=C/CC)c1n[nH]c2c1CNCC2.CC.
What is the InChIKey of ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is ZRHCXHIVKRQESN-IULRTABXSA-N. The full InChI is InChI=1S/C13H19N3.C2H6/c1-3-5-10(6-4-2)13-11-9-14-8-7-12(11)15-16-13;1-2/h3,5-6,14H,4,7-9H2,1-2H3,(H,15,16);1-2H3/b5-3-,10-6+;.
What are the key properties of ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 247.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2Z,4E)-hepta-2,4-dien-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 145116783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).