4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine

C20H14N4O2 — CID 67183993

IUPAC4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine
SMILESO=[N+]([O-])c1cccc(-c2c(-c3ccncc3)cnn2-c2ccccc2)c1
InChIInChI=1S/C20H14N4O2/c25-24(26)18-8-4-5-16(13-18)20-19(15-9-11-21-12-10-15)14-22-23(20)17-6-2-1-3-7-17/h1-14H
InChIKeyJKDQZAYNXJNPCY-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.51
Rot. Bonds4

About 4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine

4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine (PubChem CID 67183993) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine
PubChem CID67183993
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine
SMILESO=[N+]([O-])c1cccc(-c2c(-c3ccncc3)cnn2-c2ccccc2)c1
InChIInChI=1S/C20H14N4O2/c25-24(26)18-8-4-5-16(13-18)20-19(15-9-11-21-12-10-15)14-22-23(20)17-6-2-1-3-7-17/h1-14H
InChIKeyJKDQZAYNXJNPCY-UHFFFAOYSA-N
XLogP4.51
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine (CID 67183993) is 4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine is O=[N+]([O-])c1cccc(-c2c(-c3ccncc3)cnn2-c2ccccc2)c1.
What is the InChIKey of 4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine?
The InChIKey is JKDQZAYNXJNPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-24(26)18-8-4-5-16(13-18)20-19(15-9-11-21-12-10-15)14-22-23(20)17-6-2-1-3-7-17/h1-14H.
What are the key properties of 4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine?
4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine has a molecular weight of 342.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-nitrophenyl)-1-phenylpyrazol-4-yl]pyridine is sourced from PubChem (CID 67183993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).