2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide

C14H17FN4O — CID 103572064

IUPAC2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide
SMILESCCCn1cc(C(Nc2ccc(F)cc2)C(N)=O)cn1
InChIInChI=1S/C14H17FN4O/c1-2-7-19-9-10(8-17-19)13(14(16)20)18-12-5-3-11(15)4-6-12/h3-6,8-9,13,18H,2,7H2,1H3,(H2,16,20)
InChIKeyVWSFSBNTZKIBJL-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.07
Rot. Bonds6

About 2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide

2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide (PubChem CID 103572064) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide
PubChem CID103572064
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide
SMILESCCCn1cc(C(Nc2ccc(F)cc2)C(N)=O)cn1
InChIInChI=1S/C14H17FN4O/c1-2-7-19-9-10(8-17-19)13(14(16)20)18-12-5-3-11(15)4-6-12/h3-6,8-9,13,18H,2,7H2,1H3,(H2,16,20)
InChIKeyVWSFSBNTZKIBJL-UHFFFAOYSA-N
XLogP2.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyanilino)-2-(1-propylpyrazol-4-yl)acetamide
CID 103572073
2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
CID 103569831
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide
CID 78836194
ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 60991776
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)acetamide
CID 61005627
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
3-(methylamino)-3-(1-propylpyrazol-4-yl)propanamide
CID 103573447
2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
2-(2-methoxyethylamino)-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572196

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide (CID 103572064) is 2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide is CCCn1cc(C(Nc2ccc(F)cc2)C(N)=O)cn1.
What is the InChIKey of 2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide?
The InChIKey is VWSFSBNTZKIBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-2-7-19-9-10(8-17-19)13(14(16)20)18-12-5-3-11(15)4-6-12/h3-6,8-9,13,18H,2,7H2,1H3,(H2,16,20).
What are the key properties of 2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide?
2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide has a molecular weight of 276.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide is sourced from PubChem (CID 103572064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).