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

C10H15N3 — CID 121435417

IUPAC3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCCC=Cc1n[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)
InChIKeyFCQXBXCHRXJQSS-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.48
Rot. Bonds2

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

3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 121435417) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID121435417
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCCC=Cc1n[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)
InChIKeyFCQXBXCHRXJQSS-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 121435417) is 3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is CCC=Cc1n[nH]c2c1CNCC2.
What is the InChIKey of 3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is FCQXBXCHRXJQSS-UHFFFAOYSA-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).
What are the key properties of 3-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-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-but-1-enyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 121435417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).