2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide

C14H17FN4O — CID 115990096

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
SMILESCCc1nn(C)cc1C(Nc1cccc(F)c1)C(N)=O
InChIInChI=1S/C14H17FN4O/c1-3-12-11(8-19(2)18-12)13(14(16)20)17-10-6-4-5-9(15)7-10/h4-8,13,17H,3H2,1-2H3,(H2,16,20)
InChIKeyHCZFTTWFBCMMOA-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.76
Rot. Bonds5

About 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide

2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide (PubChem CID 115990096) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
PubChem CID115990096
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
SMILESCCc1nn(C)cc1C(Nc1cccc(F)c1)C(N)=O
InChIInChI=1S/C14H17FN4O/c1-3-12-11(8-19(2)18-12)13(14(16)20)17-10-6-4-5-9(15)7-10/h4-8,13,17H,3H2,1-2H3,(H2,16,20)
InChIKeyHCZFTTWFBCMMOA-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-2-(2-methoxyphenyl)acetamide
CID 60995341
1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 102812002
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-fluorophenyl)acetamide
CID 115885607
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide
CID 60996177
ethyl 2-(3-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60993455
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 115990144
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 75471909
2-(2,5-difluorophenyl)-2-(3-methylanilino)acetamide
CID 61005085
1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
CID 112669491
3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
CID 102613275

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide (CID 115990096) is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide is CCc1nn(C)cc1C(Nc1cccc(F)c1)C(N)=O.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide?
The InChIKey is HCZFTTWFBCMMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-12-11(8-19(2)18-12)13(14(16)20)17-10-6-4-5-9(15)7-10/h4-8,13,17H,3H2,1-2H3,(H2,16,20).
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide?
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide has a molecular weight of 276.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide is sourced from PubChem (CID 115990096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).