3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C10H15N3 — CID 140728989

IUPAC3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCC/C=C/c1n[nH]c2c1CNCC2
InChIInChI=1S/C10H15N3/c1-2-3-4-9-8-7-11-6-5-10(8)13-12-9/h3-4,11H,2,5-7H2,1H3,(H,12,13)/b4-3+
InChIKeyFCQXBXCHRXJQSS-ONEGZZNKSA-N
MW177.25 g/mol
LogP1.48
Rot. Bonds2

About 3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 140728989) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID140728989
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCC/C=C/c1n[nH]c2c1CNCC2
InChIInChI=1S/C10H15N3/c1-2-3-4-9-8-7-11-6-5-10(8)13-12-9/h3-4,11H,2,5-7H2,1H3,(H,12,13)/b4-3+
InChIKeyFCQXBXCHRXJQSS-ONEGZZNKSA-N
XLogP1.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
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
3-Phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 6501606

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 140728989) is 3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is CC/C=C/c1n[nH]c2c1CNCC2.
What is the InChIKey of 3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is FCQXBXCHRXJQSS-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-3-4-9-8-7-11-6-5-10(8)13-12-9/h3-4,11H,2,5-7H2,1H3,(H,12,13)/b4-3+.
What are the key properties of 3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 177.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 140728989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).