ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate

C15H18FN3O2 — CID 103569901

IUPACethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
SMILESCCOC(=O)C(Nc1cccc(F)c1)c1cnn(CC)c1
InChIInChI=1S/C15H18FN3O2/c1-3-19-10-11(9-17-19)14(15(20)21-4-2)18-13-7-5-6-12(16)8-13/h5-10,14,18H,3-4H2,1-2H3
InChIKeyPNBPEEBTWVSULH-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.76
Rot. Bonds6

About ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate

ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate (PubChem CID 103569901) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
PubChem CID103569901
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Nameethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
SMILESCCOC(=O)C(Nc1cccc(F)c1)c1cnn(CC)c1
InChIInChI=1S/C15H18FN3O2/c1-3-19-10-11(9-17-19)14(15(20)21-4-2)18-13-7-5-6-12(16)8-13/h5-10,14,18H,3-4H2,1-2H3
InChIKeyPNBPEEBTWVSULH-UHFFFAOYSA-N
XLogP2.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate
CID 103569974
2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol
CID 103570268
2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
CID 103569831
ethyl 2-(3-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60993455
N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571920
2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide
CID 91636359
methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate
CID 86791823
ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 60991776
ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate
CID 102001487
ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 61001750
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 115990096

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate?
The IUPAC name of ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate (CID 103569901) is ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate is CCOC(=O)C(Nc1cccc(F)c1)c1cnn(CC)c1.
What is the InChIKey of ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate?
The InChIKey is PNBPEEBTWVSULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-19-10-11(9-17-19)14(15(20)21-4-2)18-13-7-5-6-12(16)8-13/h5-10,14,18H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate?
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate has a molecular weight of 291.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate is sourced from PubChem (CID 103569901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).