methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate

C15H18FN3O2 — CID 103569974

IUPACmethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate
SMILESCCn1cc(C(Nc2cc(C)cc(F)c2)C(=O)OC)cn1
InChIInChI=1S/C15H18FN3O2/c1-4-19-9-11(8-17-19)14(15(20)21-3)18-13-6-10(2)5-12(16)7-13/h5-9,14,18H,4H2,1-3H3
InChIKeyUCEUVOXAEAJTEA-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.68
Rot. Bonds5

About methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate

methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate (PubChem CID 103569974) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate
PubChem CID103569974
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Namemethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate
SMILESCCn1cc(C(Nc2cc(C)cc(F)c2)C(=O)OC)cn1
InChIInChI=1S/C15H18FN3O2/c1-4-19-9-11(8-17-19)14(15(20)21-3)18-13-6-10(2)5-12(16)7-13/h5-9,14,18H,4H2,1-3H3
InChIKeyUCEUVOXAEAJTEA-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate?
The IUPAC name of methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate (CID 103569974) is methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate.
What is the SMILES notation for methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate?
The canonical SMILES for methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate is CCn1cc(C(Nc2cc(C)cc(F)c2)C(=O)OC)cn1.
What is the InChIKey of methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate?
The InChIKey is UCEUVOXAEAJTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-4-19-9-11(8-17-19)14(15(20)21-3)18-13-6-10(2)5-12(16)7-13/h5-9,14,18H,4H2,1-3H3.
What are the key properties of methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate?
methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate has a molecular weight of 291.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate is sourced from PubChem (CID 103569974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).