6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine

C17H14ClN5 — CID 177306536

IUPAC6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine
SMILESClc1cc2c(cn1)cnn2Cc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H14ClN5/c18-17-8-16-15(9-19-17)10-21-23(16)12-14-4-2-13(3-5-14)11-22-7-1-6-20-22/h1-10H,11-12H2
InChIKeyXMJMWCLIHWJVDD-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.38
Rot. Bonds4

About 6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine

6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine (PubChem CID 177306536) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine
PubChem CID177306536
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine
SMILESClc1cc2c(cn1)cnn2Cc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H14ClN5/c18-17-8-16-15(9-19-17)10-21-23(16)12-14-4-2-13(3-5-14)11-22-7-1-6-20-22/h1-10H,11-12H2
InChIKeyXMJMWCLIHWJVDD-UHFFFAOYSA-N
XLogP3.38
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine (CID 177306536) is 6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine is Clc1cc2c(cn1)cnn2Cc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine?
The InChIKey is XMJMWCLIHWJVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c18-17-8-16-15(9-19-17)10-21-23(16)12-14-4-2-13(3-5-14)11-22-7-1-6-20-22/h1-10H,11-12H2.
What are the key properties of 6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine?
6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine has a molecular weight of 323.79 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 177306536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).