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

C8H11ClN2 — CID 68793761

IUPAC2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESClCc1cc2n(n1)CCCC2
InChIInChI=1S/C8H11ClN2/c9-6-7-5-8-3-1-2-4-11(8)10-7/h5H,1-4,6H2
InChIKeyQWNDXWFLUYJIMF-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.96
Rot. Bonds1

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

2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 68793761) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID68793761
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESClCc1cc2n(n1)CCCC2
InChIInChI=1S/C8H11ClN2/c9-6-7-5-8-3-1-2-4-11(8)10-7/h5H,1-4,6H2
InChIKeyQWNDXWFLUYJIMF-UHFFFAOYSA-N
XLogP1.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 68793761) is 2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is ClCc1cc2n(n1)CCCC2.
What is the InChIKey of 2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is QWNDXWFLUYJIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c9-6-7-5-8-3-1-2-4-11(8)10-7/h5H,1-4,6H2.
What are the key properties of 2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 170.64 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 68793761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).