(Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one

C17H20N2O — CID 178068014

IUPAC(Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one
SMILESCCCCCC(=O)/C(=C/c1ccccc1)n1cccn1
InChIInChI=1S/C17H20N2O/c1-2-3-5-11-17(20)16(19-13-8-12-18-19)14-15-9-6-4-7-10-15/h4,6-10,12-14H,2-3,5,11H2,1H3/b16-14-
InChIKeyJKBIYGMNLSDXFS-PEZBUJJGSA-N
MW268.36 g/mol
LogP4.03
Rot. Bonds7

About (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one

(Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one (PubChem CID 178068014) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one
PubChem CID178068014
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one
SMILESCCCCCC(=O)/C(=C/c1ccccc1)n1cccn1
InChIInChI=1S/C17H20N2O/c1-2-3-5-11-17(20)16(19-13-8-12-18-19)14-15-9-6-4-7-10-15/h4,6-10,12-14H,2-3,5,11H2,1H3/b16-14-
InChIKeyJKBIYGMNLSDXFS-PEZBUJJGSA-N
XLogP4.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-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

(1Z)-1-phenyl-2-pyrazol-1-ylhepta-1,6-dien-3-one
CID 178067988
(Z)-4-phenyl-3-pyrazol-1-ylbut-3-en-2-one
CID 178067984
(2E)-2-benzylideneheptanoic acid
CID 14318164
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
(E)-4-[dimethyl(oxo)-λ6-sulfanylidene]-2,2-dimethyl-6-phenyl-5-pyrazol-1-ylhex-5-en-3-one
CID 170854744
3-benzylideneoctanoate
CID 20981574
2-benzylideneicosanamide
CID 167436455
(Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one
CID 178068038
(2Z)-2-benzylidenehexanoate
CID 21157937
(2E)-2-benzylidenehexanoic acid
CID 5354388
(E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one
CID 177396673
4-benzylidene-1-phenylheptadec-1-en-3-one
CID 54442724

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one?
The IUPAC name of (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one (CID 178068014) is (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one.
What is the SMILES notation for (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one?
The canonical SMILES for (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one is CCCCCC(=O)/C(=C/c1ccccc1)n1cccn1.
What is the InChIKey of (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one?
The InChIKey is JKBIYGMNLSDXFS-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-3-5-11-17(20)16(19-13-8-12-18-19)14-15-9-6-4-7-10-15/h4,6-10,12-14H,2-3,5,11H2,1H3/b16-14-.
What are the key properties of (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one?
(Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one has a molecular weight of 268.36 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one is sourced from PubChem (CID 178068014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).