ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate

C14H13FN2O2 — CID 166320242

IUPACethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-2-19-14(18)8-7-13-9-10-16-17(13)12-5-3-11(15)4-6-12/h3-10H,2H2,1H3/b8-7+
InChIKeyDDKZHYPTJODJMJ-BQYQJAHWSA-N
MW260.27 g/mol
LogP2.59
Rot. Bonds4

About ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate

ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate (PubChem CID 166320242) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate
PubChem CID166320242
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Nameethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-2-19-14(18)8-7-13-9-10-16-17(13)12-5-3-11(15)4-6-12/h3-10H,2H2,1H3/b8-7+
InChIKeyDDKZHYPTJODJMJ-BQYQJAHWSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.59
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

ethyl (E)-3-(2-methylpyrazol-3-yl)prop-2-enoate
CID 77230263
ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 90656941
ethyl (E)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 23919060
ethyl (E)-3-(5-formyl-1-methylpyrrol-2-yl)prop-2-enoate
CID 122163598
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 83877731
ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate
CID 74320921
ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
CID 169480131
ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 141319024
ethyl (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoate
CID 10537093
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22228090
ethyl 3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enoate
CID 169481120
ethyl (E)-3-(2-cyano-5-fluorophenyl)prop-2-enoate
CID 57408075

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate (CID 166320242) is ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate is CCOC(=O)/C=C/c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate?
The InChIKey is DDKZHYPTJODJMJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-2-19-14(18)8-7-13-9-10-16-17(13)12-5-3-11(15)4-6-12/h3-10H,2H2,1H3/b8-7+.
What are the key properties of ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate?
ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate has a molecular weight of 260.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enoate is sourced from PubChem (CID 166320242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).