3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine

C17H17ClN4 — CID 45111427

IUPAC3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine
SMILESClc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1
InChIInChI=1S/C17H17ClN4/c18-13-3-1-12(2-4-13)17-15-11-20-10-7-16(15)22(21-17)14-5-8-19-9-6-14/h1-4,7,10-11,14,19H,5-6,8-9H2
InChIKeyNHRQKJBZWIABPY-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.68
Rot. Bonds2

About 3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine

3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine (PubChem CID 45111427) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine
PubChem CID45111427
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine
SMILESClc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1
InChIInChI=1S/C17H17ClN4/c18-13-3-1-12(2-4-13)17-15-11-20-10-7-16(15)22(21-17)14-5-8-19-9-6-14/h1-4,7,10-11,14,19H,5-6,8-9H2
InChIKeyNHRQKJBZWIABPY-UHFFFAOYSA-N
XLogP3.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine (CID 45111427) is 3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine is Clc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine?
The InChIKey is NHRQKJBZWIABPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-13-3-1-12(2-4-13)17-15-11-20-10-7-16(15)22(21-17)14-5-8-19-9-6-14/h1-4,7,10-11,14,19H,5-6,8-9H2.
What are the key properties of 3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine?
3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine has a molecular weight of 312.80 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 45111427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).