2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide

C13H19FN4O2 — CID 170519099

IUPAC2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(C)c1CC(=O)N1CCCC1(F)C(N)=O
InChIInChI=1S/C13H19FN4O2/c1-8-10(9(2)17(3)16-8)7-11(19)18-6-4-5-13(18,14)12(15)20/h4-7H2,1-3H3,(H2,15,20)
InChIKeyDQFRAFYTUHBXJP-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.35
Rot. Bonds3

About 2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide

2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 170519099) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID170519099
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(C)c1CC(=O)N1CCCC1(F)C(N)=O
InChIInChI=1S/C13H19FN4O2/c1-8-10(9(2)17(3)16-8)7-11(19)18-6-4-5-13(18,14)12(15)20/h4-7H2,1-3H3,(H2,15,20)
InChIKeyDQFRAFYTUHBXJP-UHFFFAOYSA-N
XLogP0.35
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide (CID 170519099) is 2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide is Cc1nn(C)c(C)c1CC(=O)N1CCCC1(F)C(N)=O.
What is the InChIKey of 2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is DQFRAFYTUHBXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-8-10(9(2)17(3)16-8)7-11(19)18-6-4-5-13(18,14)12(15)20/h4-7H2,1-3H3,(H2,15,20).
What are the key properties of 2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170519099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).