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

C13H13ClN2 — CID 71813966

IUPAC2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESClc1ccccc1-c1cc2n(n1)CCCC2
InChIInChI=1S/C13H13ClN2/c14-12-7-2-1-6-11(12)13-9-10-5-3-4-8-16(10)15-13/h1-2,6-7,9H,3-5,8H2
InChIKeyVTTJIVGNHWWFOS-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.54
Rot. Bonds1

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

2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 71813966) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID71813966
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESClc1ccccc1-c1cc2n(n1)CCCC2
InChIInChI=1S/C13H13ClN2/c14-12-7-2-1-6-11(12)13-9-10-5-3-4-8-16(10)15-13/h1-2,6-7,9H,3-5,8H2
InChIKeyVTTJIVGNHWWFOS-UHFFFAOYSA-N
XLogP3.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 71813966) is 2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is Clc1ccccc1-c1cc2n(n1)CCCC2.
What is the InChIKey of 2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is VTTJIVGNHWWFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-12-7-2-1-6-11(12)13-9-10-5-3-4-8-16(10)15-13/h1-2,6-7,9H,3-5,8H2.
What are the key properties of 2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 232.71 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 71813966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).