(2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone

C18H14N2O2 — CID 10803428

IUPAC(2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone
SMILESO=C(c1ccccc1O)c1[nH]ncc1/C=C/c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-16-9-5-4-8-15(16)18(22)17-14(12-19-20-17)11-10-13-6-2-1-3-7-13/h1-12,21H,(H,19,20)/b11-10+
InChIKeyWKDNAWIFUOEWQT-ZHACJKMWSA-N
MW290.32 g/mol
LogP3.52
Rot. Bonds4

About (2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone

(2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone (PubChem CID 10803428) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone
PubChem CID10803428
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone
SMILESO=C(c1ccccc1O)c1[nH]ncc1/C=C/c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-16-9-5-4-8-15(16)18(22)17-14(12-19-20-17)11-10-13-6-2-1-3-7-13/h1-12,21H,(H,19,20)/b11-10+
InChIKeyWKDNAWIFUOEWQT-ZHACJKMWSA-N
XLogP3.52
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone (CID 10803428) is (2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone is O=C(c1ccccc1O)c1[nH]ncc1/C=C/c1ccccc1.
What is the InChIKey of (2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone?
The InChIKey is WKDNAWIFUOEWQT-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-16-9-5-4-8-15(16)18(22)17-14(12-19-20-17)11-10-13-6-2-1-3-7-13/h1-12,21H,(H,19,20)/b11-10+.
What are the key properties of (2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone?
(2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone has a molecular weight of 290.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 10803428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).