3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one

C15H16N2O2 — CID 4773897

IUPAC3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C(=O)C=Cc2cn(C)nc2C)c1
InChIInChI=1S/C15H16N2O2/c1-11-13(10-17(2)16-11)7-8-15(18)12-5-4-6-14(9-12)19-3/h4-10H,1-3H3
InChIKeyPHUOKZZOQDSJEU-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.63
Rot. Bonds4

About 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one

3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one (PubChem CID 4773897) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
PubChem CID4773897
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C(=O)C=Cc2cn(C)nc2C)c1
InChIInChI=1S/C15H16N2O2/c1-11-13(10-17(2)16-11)7-8-15(18)12-5-4-6-14(9-12)19-3/h4-10H,1-3H3
InChIKeyPHUOKZZOQDSJEU-UHFFFAOYSA-N
XLogP2.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)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-(3,4-dimethoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 19559414
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 19560591
3-(2,5-dimethoxyphenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 4866968
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
(E)-3-(2,5-difluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 52643172
(E)-3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 7784056
3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 78541367
(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one
CID 70016951
3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one
CID 3936192
(E)-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylprop-2-en-1-one
CID 10955405
(E)-1-(3-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 75359449
1-(5-bromothiophen-2-yl)-3-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 4767244

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one (CID 4773897) is 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one is COc1cccc(C(=O)C=Cc2cn(C)nc2C)c1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one?
The InChIKey is PHUOKZZOQDSJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-13(10-17(2)16-11)7-8-15(18)12-5-4-6-14(9-12)19-3/h4-10H,1-3H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one?
3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one has a molecular weight of 256.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 4773897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).