1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole

C34H28N4 — CID 137490016

IUPAC1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole
SMILESC(=C\Cc1cccc(-c2ccn(-c3ccccc3)n2)c1)\Cc1cccc(-c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C34H28N4/c1-3-17-31(18-4-1)37-23-21-33(35-37)29-15-9-13-27(25-29)11-7-8-12-28-14-10-16-30(26-28)34-22-24-38(36-34)32-19-5-2-6-20-32/h1-10,13-26H,11-12H2/b8-7-
InChIKeySDWMAGHLJRBLHN-FPLPWBNLSA-N
MW492.63 g/mol
LogP7.73
Rot. Bonds8

About 1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole

1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole (PubChem CID 137490016) has the molecular formula C34H28N4 and a molecular weight of 492.63 g/mol. Its IUPAC name is 1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole
PubChem CID137490016
Molecular FormulaC34H28N4
Molecular Weight492.63 g/mol
Exact Mass492.23
IUPAC Name1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole
SMILESC(=C\Cc1cccc(-c2ccn(-c3ccccc3)n2)c1)\Cc1cccc(-c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C34H28N4/c1-3-17-31(18-4-1)37-23-21-33(35-37)29-15-9-13-27(25-29)11-7-8-12-28-14-10-16-30(26-28)34-22-24-38(36-34)32-19-5-2-6-20-32/h1-10,13-26H,11-12H2/b8-7-
InChIKeySDWMAGHLJRBLHN-FPLPWBNLSA-N
XLogP7.73
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[3-[3-(3-phenylphenyl)phenyl]pyrazol-1-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole?
The IUPAC name of 1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole (CID 137490016) is 1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole.
What is the SMILES notation for 1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole?
The canonical SMILES for 1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole is C(=C\Cc1cccc(-c2ccn(-c3ccccc3)n2)c1)\Cc1cccc(-c2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole?
The InChIKey is SDWMAGHLJRBLHN-FPLPWBNLSA-N. The full InChI is InChI=1S/C34H28N4/c1-3-17-31(18-4-1)37-23-21-33(35-37)29-15-9-13-27(25-29)11-7-8-12-28-14-10-16-30(26-28)34-22-24-38(36-34)32-19-5-2-6-20-32/h1-10,13-26H,11-12H2/b8-7-.
What are the key properties of 1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole?
1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole has a molecular weight of 492.63 g/mol, XLogP of 7.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole is sourced from PubChem (CID 137490016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).