2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C8H11N5 — CID 162349466

IUPAC2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILES[N-]=[N+]=NCc1cc2n(n1)CCCC2
InChIInChI=1S/C8H11N5/c9-12-10-6-7-5-8-3-1-2-4-13(8)11-7/h5H,1-4,6H2
InChIKeyKXOBGFQRAHACDY-UHFFFAOYSA-N
MW177.21 g/mol
LogP2.03
Rot. Bonds2

About 2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 162349466) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID162349466
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILES[N-]=[N+]=NCc1cc2n(n1)CCCC2
InChIInChI=1S/C8H11N5/c9-12-10-6-7-5-8-3-1-2-4-13(8)11-7/h5H,1-4,6H2
InChIKeyKXOBGFQRAHACDY-UHFFFAOYSA-N
XLogP2.03
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
4H,5H,6H,7H-pyrazolo(1,5-a)pyridine
CID 13785278
Dipropyl-(4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl)-amine
CID 11356479
Dipropyl-(S)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl-amine
CID 11615489
Dipropyl-(R)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl-amine
CID 11708363
2-(chloromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyridine
CID 68793761
4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-4-amine
CID 83872256
2-cyclopropyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine hydrochloride
CID 132286794
2-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine
CID 105453277
1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-2-yl}ethan-1-amine dihydrochloride
CID 122149390
(4H,5H,6H,7H-pyrazolo(1,5-a)pyridin-2-yl)methanamine dihydrochloride
CID 122156683
2-tert-butyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine hydrochloride
CID 132300870

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 162349466) is 2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is [N-]=[N+]=NCc1cc2n(n1)CCCC2.
What is the InChIKey of 2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is KXOBGFQRAHACDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-12-10-6-7-5-8-3-1-2-4-13(8)11-7/h5H,1-4,6H2.
What are the key properties of 2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 177.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 162349466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).