(Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one

C23H18N2O2S — CID 18558834

IUPAC(Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C23H18N2O2S/c1-27-20-12-9-17(10-13-20)21(26)14-11-18-16-25(19-6-3-2-4-7-19)24-23(18)22-8-5-15-28-22/h2-16H,1H3/b14-11-
InChIKeyOAANGLUEPJCFPT-KAMYIIQDSA-N
MW386.48 g/mol
LogP5.51
Rot. Bonds6

About (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one

(Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one (PubChem CID 18558834) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
PubChem CID18558834
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name(Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C23H18N2O2S/c1-27-20-12-9-17(10-13-20)21(26)14-11-18-16-25(19-6-3-2-4-7-19)24-23(18)22-8-5-15-28-22/h2-16H,1H3/b14-11-
InChIKeyOAANGLUEPJCFPT-KAMYIIQDSA-N
XLogP5.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one (CID 18558834) is (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one is COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one?
The InChIKey is OAANGLUEPJCFPT-KAMYIIQDSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-27-20-12-9-17(10-13-20)21(26)14-11-18-16-25(19-6-3-2-4-7-19)24-23(18)22-8-5-15-28-22/h2-16H,1H3/b14-11-.
What are the key properties of (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one?
(Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one has a molecular weight of 386.48 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 18558834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).