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

C14H17FN4O — CID 103569831

IUPAC2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
SMILESCCn1cc(C(Nc2cc(C)cc(F)c2)C(N)=O)cn1
InChIInChI=1S/C14H17FN4O/c1-3-19-8-10(7-17-19)13(14(16)20)18-12-5-9(2)4-11(15)6-12/h4-8,13,18H,3H2,1-2H3,(H2,16,20)
InChIKeyDFQQZYJIVFPMIB-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.99
Rot. Bonds5

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

2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide (PubChem CID 103569831) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
PubChem CID103569831
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
SMILESCCn1cc(C(Nc2cc(C)cc(F)c2)C(N)=O)cn1
InChIInChI=1S/C14H17FN4O/c1-3-19-8-10(7-17-19)13(14(16)20)18-12-5-9(2)4-11(15)6-12/h4-8,13,18H,3H2,1-2H3,(H2,16,20)
InChIKeyDFQQZYJIVFPMIB-UHFFFAOYSA-N
XLogP1.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate
CID 103569974
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide
CID 103572064
2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79583974
2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
CID 79055306
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305
2-(3-fluoro-5-methylanilino)-2-(3-hydroxyphenyl)acetamide
CID 79055466
(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 97055135
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79044745
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
2-(3-fluoro-5-methylanilino)-2-(2-methoxyphenyl)acetamide
CID 79044484
2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044647

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide (CID 103569831) is 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide is CCn1cc(C(Nc2cc(C)cc(F)c2)C(N)=O)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide?
The InChIKey is DFQQZYJIVFPMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-19-8-10(7-17-19)13(14(16)20)18-12-5-9(2)4-11(15)6-12/h4-8,13,18H,3H2,1-2H3,(H2,16,20).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide?
2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide has a molecular weight of 276.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide is sourced from PubChem (CID 103569831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).