ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate

C14H16FN3O2 — CID 61001750

IUPACethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
SMILESCCOC(=O)C(Nc1ccccc1F)c1cnn(C)c1
InChIInChI=1S/C14H16FN3O2/c1-3-20-14(19)13(10-8-16-18(2)9-10)17-12-7-5-4-6-11(12)15/h4-9,13,17H,3H2,1-2H3
InChIKeyRDMZHNHNYQIVHW-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.28
Rot. Bonds5

About ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate

ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate (PubChem CID 61001750) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
PubChem CID61001750
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Nameethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
SMILESCCOC(=O)C(Nc1ccccc1F)c1cnn(C)c1
InChIInChI=1S/C14H16FN3O2/c1-3-20-14(19)13(10-8-16-18(2)9-10)17-12-7-5-4-6-11(12)15/h4-9,13,17H,3H2,1-2H3
InChIKeyRDMZHNHNYQIVHW-UHFFFAOYSA-N
XLogP2.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 60991776
ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
CID 61001373
N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65379188
ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
CID 103715582
2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 54890874
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
ethyl (2S)-2-(benzhydrylideneamino)-2-(1-methylpyrazol-4-yl)acetate
CID 125482183
ethyl 2-(benzhydrylideneamino)-2-(1-methylpyrazol-4-yl)acetate
CID 118318070
2-(4-carbamoyl-2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288458
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
ethyl 2-(2-fluoroanilino)heptanoate
CID 54890514
ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 83091037

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate (CID 61001750) is ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate is CCOC(=O)C(Nc1ccccc1F)c1cnn(C)c1.
What is the InChIKey of ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate?
The InChIKey is RDMZHNHNYQIVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-3-20-14(19)13(10-8-16-18(2)9-10)17-12-7-5-4-6-11(12)15/h4-9,13,17H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate?
ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate has a molecular weight of 277.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate is sourced from PubChem (CID 61001750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).