ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate

C21H19FN2O2 — CID 146291808

IUPACethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate
SMILESCCOC(=O)/C(F)=C1\CCCc2cnn(-c3ccc4ccccc4c3)c21
InChIInChI=1S/C21H19FN2O2/c1-2-26-21(25)19(22)18-9-5-8-16-13-23-24(20(16)18)17-11-10-14-6-3-4-7-15(14)12-17/h3-4,6-7,10-13H,2,5,8-9H2,1H3/b19-18-
InChIKeyKTLXGCVWTGJXOG-HNENSFHCSA-N
MW350.39 g/mol
LogP4.61
Rot. Bonds3

About ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate

ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate (PubChem CID 146291808) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate
PubChem CID146291808
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Nameethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate
SMILESCCOC(=O)/C(F)=C1\CCCc2cnn(-c3ccc4ccccc4c3)c21
InChIInChI=1S/C21H19FN2O2/c1-2-26-21(25)19(22)18-9-5-8-16-13-23-24(20(16)18)17-11-10-14-6-3-4-7-15(14)12-17/h3-4,6-7,10-13H,2,5,8-9H2,1H3/b19-18-
InChIKeyKTLXGCVWTGJXOG-HNENSFHCSA-N
XLogP4.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate 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

1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-[2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)ethyl]urea
CID 166708627
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-[(2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)ethyl]urea
CID 146291755
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974030
1-naphthalen-2-ylindazole
CID 134338014
ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1180696
ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate
CID 167435011
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate
CID 46197405
ethyl 1-(4-nitrosophenyl)-5-phenylpyrazole-4-carboxylate
CID 89330391
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
1-O-ethyl 3-O-naphthalen-2-yl 2,2-diethylpropanedioate
CID 91708061
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942368

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate (CID 146291808) is ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate is CCOC(=O)/C(F)=C1\CCCc2cnn(-c3ccc4ccccc4c3)c21.
What is the InChIKey of ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate?
The InChIKey is KTLXGCVWTGJXOG-HNENSFHCSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-2-26-21(25)19(22)18-9-5-8-16-13-23-24(20(16)18)17-11-10-14-6-3-4-7-15(14)12-17/h3-4,6-7,10-13H,2,5,8-9H2,1H3/b19-18-.
What are the key properties of ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate?
ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate has a molecular weight of 350.39 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-fluoro-2-(1-naphthalen-2-yl-5,6-dihydro-4H-indazol-7-ylidene)acetate is sourced from PubChem (CID 146291808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).