(Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one

C16H12N2OS — CID 178068010

IUPAC(Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)n1cccn1)c1cccs1
InChIInChI=1S/C16H12N2OS/c19-16(15-8-4-11-20-15)14(18-10-5-9-17-18)12-13-6-2-1-3-7-13/h1-12H/b14-12-
InChIKeyRTPMNGAIDTXXKW-OWBHPGMISA-N
MW280.35 g/mol
LogP3.83
Rot. Bonds4

About (Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one

(Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 178068010) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one
PubChem CID178068010
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)n1cccn1)c1cccs1
InChIInChI=1S/C16H12N2OS/c19-16(15-8-4-11-20-15)14(18-10-5-9-17-18)12-13-6-2-1-3-7-13/h1-12H/b14-12-
InChIKeyRTPMNGAIDTXXKW-OWBHPGMISA-N
XLogP3.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-phenyl-3-pyrazol-1-ylbut-3-en-2-one
CID 178067984
(Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one
CID 178068038
(E)-4-[dimethyl(oxo)-λ6-sulfanylidene]-2,2-dimethyl-6-phenyl-5-pyrazol-1-ylhex-5-en-3-one
CID 170854744
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
(E)-3-(1-phenylpyrazol-4-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile
CID 9335058
1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione
CID 174641715
4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
CID 43793295
2,3-dimethyl-1-thiophen-2-ylbut-2-en-1-one
CID 131801030
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406
(E)-3-(4-anilinophenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile
CID 9045427
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one (CID 178068010) is (Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one is O=C(/C(=C/c1ccccc1)n1cccn1)c1cccs1.
What is the InChIKey of (Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is RTPMNGAIDTXXKW-OWBHPGMISA-N. The full InChI is InChI=1S/C16H12N2OS/c19-16(15-8-4-11-20-15)14(18-10-5-9-17-18)12-13-6-2-1-3-7-13/h1-12H/b14-12-.
What are the key properties of (Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one?
(Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 280.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-2-pyrazol-1-yl-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 178068010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).