5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole

C20H16N4 — CID 70413640

IUPAC5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole
SMILESC(=C/c1ccc(-c2ccn[nH]2)cc1)\c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C20H16N4/c1(15-3-7-17(8-4-15)19-11-13-21-23-19)2-16-5-9-18(10-6-16)20-12-14-22-24-20/h1-14H,(H,21,23)(H,22,24)/b2-1+
InChIKeyQOTDDXUNXLMRDX-OWOJBTEDSA-N
MW312.38 g/mol
LogP4.64
Rot. Bonds4

About 5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole

5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole (PubChem CID 70413640) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole
PubChem CID70413640
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole
SMILESC(=C/c1ccc(-c2ccn[nH]2)cc1)\c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C20H16N4/c1(15-3-7-17(8-4-15)19-11-13-21-23-19)2-16-5-9-18(10-6-16)20-12-14-22-24-20/h1-14H,(H,21,23)(H,22,24)/b2-1+
InChIKeyQOTDDXUNXLMRDX-OWOJBTEDSA-N
XLogP4.64
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole (CID 70413640) is 5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole is C(=C/c1ccc(-c2ccn[nH]2)cc1)\c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole?
The InChIKey is QOTDDXUNXLMRDX-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H16N4/c1(15-3-7-17(8-4-15)19-11-13-21-23-19)2-16-5-9-18(10-6-16)20-12-14-22-24-20/h1-14H,(H,21,23)(H,22,24)/b2-1+.
What are the key properties of 5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole?
5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole has a molecular weight of 312.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-2-[4-(1H-pyrazol-5-yl)phenyl]ethenyl]phenyl]-1H-pyrazole is sourced from PubChem (CID 70413640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).