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

C19H16N2O2 — CID 10852047

IUPAC(2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone
SMILESC/C(=C\c1ccccc1)c1cn[nH]c1C(=O)c1ccccc1O
InChIInChI=1S/C19H16N2O2/c1-13(11-14-7-3-2-4-8-14)16-12-20-21-18(16)19(23)15-9-5-6-10-17(15)22/h2-12,22H,1H3,(H,20,21)/b13-11+
InChIKeyOSEHKVDVVCIDJS-ACCUITESSA-N
MW304.35 g/mol
LogP3.91
Rot. Bonds4

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

(2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone (PubChem CID 10852047) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone
PubChem CID10852047
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone
SMILESC/C(=C\c1ccccc1)c1cn[nH]c1C(=O)c1ccccc1O
InChIInChI=1S/C19H16N2O2/c1-13(11-14-7-3-2-4-8-14)16-12-20-21-18(16)19(23)15-9-5-6-10-17(15)22/h2-12,22H,1H3,(H,20,21)/b13-11+
InChIKeyOSEHKVDVVCIDJS-ACCUITESSA-N
XLogP3.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.91
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)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone (CID 10852047) is (2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone is C/C(=C\c1ccccc1)c1cn[nH]c1C(=O)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone?
The InChIKey is OSEHKVDVVCIDJS-ACCUITESSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13(11-14-7-3-2-4-8-14)16-12-20-21-18(16)19(23)15-9-5-6-10-17(15)22/h2-12,22H,1H3,(H,20,21)/b13-11+.
What are the key properties of (2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone?
(2-hydroxyphenyl)-[4-[(E)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone has a molecular weight of 304.35 g/mol, XLogP of 3.91, 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)-1-phenylprop-1-en-2-yl]-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 10852047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).