ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate

C15H14FN3O3 — CID 130223141

IUPACethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1nn(-c2cc(F)cc(C#N)c2)cc1C
InChIInChI=1S/C15H14FN3O3/c1-3-21-14(20)9-22-15-10(2)8-19(18-15)13-5-11(7-17)4-12(16)6-13/h4-6,8H,3,9H2,1-2H3
InChIKeyVHOAQQAIIVCKOQ-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate

ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate (PubChem CID 130223141) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate
PubChem CID130223141
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Nameethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1nn(-c2cc(F)cc(C#N)c2)cc1C
InChIInChI=1S/C15H14FN3O3/c1-3-21-14(20)9-22-15-10(2)8-19(18-15)13-5-11(7-17)4-12(16)6-13/h4-6,8H,3,9H2,1-2H3
InChIKeyVHOAQQAIIVCKOQ-UHFFFAOYSA-N
XLogP2.13
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate 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

ethane;3-fluoro-5-[3-(2-hydroxyethoxy)-4-methylpyrazol-1-yl]benzonitrile
CID 145347282
ethyl 1-(3-cyano-5-fluorophenyl)pyrazole-4-carboxylate
CID 102817682
ethyl 4-(3-cyano-5-fluorophenyl)but-3-ynoate
CID 170471265
ethyl 2-(5-cyano-2-fluoro-3-methylphenyl)acetate
CID 134633593
ethyl 2-[1-[3-(aziridin-2-yl)-5-fluorophenyl]pyrazol-3-yl]oxyacetate
CID 145347411
ethyl 4-(3-cyano-5-fluoroanilino)butanoate
CID 102816596
1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
CID 100828971
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
CID 134128969
ethyl 2-(2-amino-4-cyanophenoxy)acetate
CID 61388704
ethyl 2-(2-chloro-5-cyano-3-methylphenyl)acetate
CID 134653257
ethyl 2-[3-cyano-5-fluoro-N-(2-methoxyethyl)anilino]acetate
CID 102815800

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate (CID 130223141) is ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate is CCOC(=O)COc1nn(-c2cc(F)cc(C#N)c2)cc1C.
What is the InChIKey of ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate?
The InChIKey is VHOAQQAIIVCKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-3-21-14(20)9-22-15-10(2)8-19(18-15)13-5-11(7-17)4-12(16)6-13/h4-6,8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate?
ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate has a molecular weight of 303.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(3-cyano-5-fluorophenyl)-4-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 130223141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).