(E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one

C14H14N2O2 — CID 19562866

IUPAC(E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCCn1ccc(/C=C/C(=O)c2cccc(O)c2)n1
InChIInChI=1S/C14H14N2O2/c1-2-16-9-8-12(15-16)6-7-14(18)11-4-3-5-13(17)10-11/h3-10,17H,2H2,1H3/b7-6+
InChIKeyGYJPSTGYRUVIFK-VOTSOKGWSA-N
MW242.28 g/mol
LogP2.50
Rot. Bonds4

About (E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one

(E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 19562866) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID19562866
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCCn1ccc(/C=C/C(=O)c2cccc(O)c2)n1
InChIInChI=1S/C14H14N2O2/c1-2-16-9-8-12(15-16)6-7-14(18)11-4-3-5-13(17)10-11/h3-10,17H,2H2,1H3/b7-6+
InChIKeyGYJPSTGYRUVIFK-VOTSOKGWSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(3-bromophenyl)-3-(1-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19551049
(E)-3-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 19551229
(E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 19562857
(E)-1-(1-ethylpyrazol-4-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 47436248
(E)-1-(1,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19563238
(E)-1-(5-benzylthiophen-2-yl)-3-(1-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19561498
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(E)-3-(4-bromo-1-ethylpyrazol-3-yl)-1-(3-bromophenyl)prop-2-en-1-one
CID 19551082
(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9033180
(E)-1-(3-hydroxyphenyl)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one
CID 19562833
(E)-3-(4-chloro-1-ethylpyrazol-3-yl)-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 19559388
(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 9448246

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one (CID 19562866) is (E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one is CCn1ccc(/C=C/C(=O)c2cccc(O)c2)n1.
What is the InChIKey of (E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is GYJPSTGYRUVIFK-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-16-9-8-12(15-16)6-7-14(18)11-4-3-5-13(17)10-11/h3-10,17H,2H2,1H3/b7-6+.
What are the key properties of (E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
(E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 242.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 19562866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).