(E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one

C14H14N2O2 — CID 19562857

IUPAC(E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCc1cc(/C=C/C(=O)c2cccc(O)c2)n(C)n1
InChIInChI=1S/C14H14N2O2/c1-10-8-12(16(2)15-10)6-7-14(18)11-4-3-5-13(17)9-11/h3-9,17H,1-2H3/b7-6+
InChIKeyPOVSVCUUBZYEHO-VOTSOKGWSA-N
MW242.28 g/mol
LogP2.33
Rot. Bonds3

About (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one

(E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 19562857) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID19562857
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCc1cc(/C=C/C(=O)c2cccc(O)c2)n(C)n1
InChIInChI=1S/C14H14N2O2/c1-10-8-12(16(2)15-10)6-7-14(18)11-4-3-5-13(17)9-11/h3-9,17H,1-2H3/b7-6+
InChIKeyPOVSVCUUBZYEHO-VOTSOKGWSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(2,4-dihydroxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one
CID 19540751
(E)-3-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 19565225
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 19562866
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
(E)-1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one
CID 19569367
3-(2-methylpyrazol-3-yl)-1-(3-pyridin-4-ylphenyl)prop-2-en-1-one
CID 91942990
(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9033178
(E)-1-(3-hydroxyphenyl)-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 35789245
(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9033180
(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 9211327
(E)-3-[1-methyl-4-[(E)-3-(3-methylphenyl)-3-oxoprop-1-enyl]pyrrol-2-yl]prop-2-enoic acid
CID 11220150

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one (CID 19562857) is (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one is Cc1cc(/C=C/C(=O)c2cccc(O)c2)n(C)n1.
What is the InChIKey of (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is POVSVCUUBZYEHO-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-8-12(16(2)15-10)6-7-14(18)11-4-3-5-13(17)9-11/h3-9,17H,1-2H3/b7-6+.
What are the key properties of (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
(E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 242.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 19562857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).