3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine

C17H16ClN3O — CID 45111576

IUPAC3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine
SMILESClc1ccc(-c2nn(CC3CCOC3)c3ccncc23)cc1
InChIInChI=1S/C17H16ClN3O/c18-14-3-1-13(2-4-14)17-15-9-19-7-5-16(15)21(20-17)10-12-6-8-22-11-12/h1-5,7,9,12H,6,8,10-11H2
InChIKeyUZSPJWMTOLNNKX-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.79
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine

3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine (PubChem CID 45111576) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine
PubChem CID45111576
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine
SMILESClc1ccc(-c2nn(CC3CCOC3)c3ccncc23)cc1
InChIInChI=1S/C17H16ClN3O/c18-14-3-1-13(2-4-14)17-15-9-19-7-5-16(15)21(20-17)10-12-6-8-22-11-12/h1-5,7,9,12H,6,8,10-11H2
InChIKeyUZSPJWMTOLNNKX-UHFFFAOYSA-N
XLogP3.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine (CID 45111576) is 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine is Clc1ccc(-c2nn(CC3CCOC3)c3ccncc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine?
The InChIKey is UZSPJWMTOLNNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-14-3-1-13(2-4-14)17-15-9-19-7-5-16(15)21(20-17)10-12-6-8-22-11-12/h1-5,7,9,12H,6,8,10-11H2.
What are the key properties of 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine?
3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 313.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 45111576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).