3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine

C20H19N5 — CID 29021911

IUPAC3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine
SMILESCc1cccnc1-c1cccc(-c2ccn(CCn3cccn3)n2)c1
InChIInChI=1S/C20H19N5/c1-16-5-3-9-21-20(16)18-7-2-6-17(15-18)19-8-12-25(23-19)14-13-24-11-4-10-22-24/h2-12,15H,13-14H2,1H3
InChIKeyJSCOHBBWMHAWNN-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.82
Rot. Bonds5

About 3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine

3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine (PubChem CID 29021911) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine
PubChem CID29021911
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine
SMILESCc1cccnc1-c1cccc(-c2ccn(CCn3cccn3)n2)c1
InChIInChI=1S/C20H19N5/c1-16-5-3-9-21-20(16)18-7-2-6-17(15-18)19-8-12-25(23-19)14-13-24-11-4-10-22-24/h2-12,15H,13-14H2,1H3
InChIKeyJSCOHBBWMHAWNN-UHFFFAOYSA-N
XLogP3.82
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
The IUPAC name of 3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine (CID 29021911) is 3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine.
What is the SMILES notation for 3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
The canonical SMILES for 3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine is Cc1cccnc1-c1cccc(-c2ccn(CCn3cccn3)n2)c1.
What is the InChIKey of 3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
The InChIKey is JSCOHBBWMHAWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-16-5-3-9-21-20(16)18-7-2-6-17(15-18)19-8-12-25(23-19)14-13-24-11-4-10-22-24/h2-12,15H,13-14H2,1H3.
What are the key properties of 3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine has a molecular weight of 329.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-[1-(2-pyrazol-1-ylethyl)pyrazol-3-yl]phenyl]pyridine is sourced from PubChem (CID 29021911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).