4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol

C17H14N2O — CID 135991591

IUPAC4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol
SMILESOc1ccc(/C=C/c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C17H14N2O/c20-16-10-7-13(8-11-16)6-9-15-12-17(19-18-15)14-4-2-1-3-5-14/h1-12,20H,(H,18,19)/b9-6+
InChIKeyNXNBXKXDLGKTAY-RMKNXTFCSA-N
MW262.31 g/mol
LogP3.95
Rot. Bonds3

About 4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol

4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol (PubChem CID 135991591) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol
PubChem CID135991591
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol
SMILESOc1ccc(/C=C/c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C17H14N2O/c20-16-10-7-13(8-11-16)6-9-15-12-17(19-18-15)14-4-2-1-3-5-14/h1-12,20H,(H,18,19)/b9-6+
InChIKeyNXNBXKXDLGKTAY-RMKNXTFCSA-N
XLogP3.95
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol?
The IUPAC name of 4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol (CID 135991591) is 4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol is Oc1ccc(/C=C/c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol?
The InChIKey is NXNBXKXDLGKTAY-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H14N2O/c20-16-10-7-13(8-11-16)6-9-15-12-17(19-18-15)14-4-2-1-3-5-14/h1-12,20H,(H,18,19)/b9-6+.
What are the key properties of 4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol?
4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol has a molecular weight of 262.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol is sourced from PubChem (CID 135991591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).