2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine

C21H16ClN3 — CID 25253103

IUPAC2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine
SMILESCc1ccc(-c2cn(-c3ccccn3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClN3/c1-15-5-7-16(8-6-15)19-14-25(20-4-2-3-13-23-20)24-21(19)17-9-11-18(22)12-10-17/h2-14H,1H3
InChIKeyJZIDOZGFYKCXDD-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.56
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine

2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine (PubChem CID 25253103) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine
PubChem CID25253103
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine
SMILESCc1ccc(-c2cn(-c3ccccn3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClN3/c1-15-5-7-16(8-6-15)19-14-25(20-4-2-3-13-23-20)24-21(19)17-9-11-18(22)12-10-17/h2-14H,1H3
InChIKeyJZIDOZGFYKCXDD-UHFFFAOYSA-N
XLogP5.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine?
The IUPAC name of 2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine (CID 25253103) is 2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine is Cc1ccc(-c2cn(-c3ccccn3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine?
The InChIKey is JZIDOZGFYKCXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c1-15-5-7-16(8-6-15)19-14-25(20-4-2-3-13-23-20)24-21(19)17-9-11-18(22)12-10-17/h2-14H,1H3.
What are the key properties of 2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine?
2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine has a molecular weight of 345.83 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 25253103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).