4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine

C19H15N5 — CID 123864479

IUPAC4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine
SMILESC(=Cc1cc(-n2cccn2)nc(-n2cccn2)c1)c1ccccc1
InChIInChI=1S/C19H15N5/c1-2-6-16(7-3-1)8-9-17-14-18(23-12-4-10-20-23)22-19(15-17)24-13-5-11-21-24/h1-15H
InChIKeyQXGSXAGWZPJWOE-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.62
Rot. Bonds4

About 4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine

4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine (PubChem CID 123864479) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine
PubChem CID123864479
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine
SMILESC(=Cc1cc(-n2cccn2)nc(-n2cccn2)c1)c1ccccc1
InChIInChI=1S/C19H15N5/c1-2-6-16(7-3-1)8-9-17-14-18(23-12-4-10-20-23)22-19(15-17)24-13-5-11-21-24/h1-15H
InChIKeyQXGSXAGWZPJWOE-UHFFFAOYSA-N
XLogP3.62
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-2-[2,6-di(pyrazol-1-yl)-4-pyridinyl]ethenyl]benzonitrile
CID 139137259
4-phenyl-2,6-di(pyrazol-1-yl)pyridine
CID 123601747
1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole
CID 68934849
4-chloro-2,6-di(pyrazol-1-yl)pyridine
CID 170900675
cobalt;2,6-di(pyrazol-1-yl)pyridine
CID 175285024
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 161004059
2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 170460067
1-(2-phenylethenyl)pyrazole
CID 71346578
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974
tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)
CID 158524727

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine?
The IUPAC name of 4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine (CID 123864479) is 4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine.
What is the SMILES notation for 4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine?
The canonical SMILES for 4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine is C(=Cc1cc(-n2cccn2)nc(-n2cccn2)c1)c1ccccc1.
What is the InChIKey of 4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine?
The InChIKey is QXGSXAGWZPJWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-2-6-16(7-3-1)8-9-17-14-18(23-12-4-10-20-23)22-19(15-17)24-13-5-11-21-24/h1-15H.
What are the key properties of 4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine?
4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine has a molecular weight of 313.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)-2,6-di(pyrazol-1-yl)pyridine is sourced from PubChem (CID 123864479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).