2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide

C9H9F3N4O2 — CID 155046582

IUPAC2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cn[nH]c2C(F)(F)F)C1=O
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)6-5(3-14-15-6)16-2-1-4(7(13)17)8(16)18/h3-4H,1-2H2,(H2,13,17)(H,14,15)
InChIKeyKZKHLBBBCFENNN-UHFFFAOYSA-N
MW262.19 g/mol
LogP0.27
Rot. Bonds2

About 2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide

2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 155046582) has the molecular formula C9H9F3N4O2 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID155046582
Molecular FormulaC9H9F3N4O2
Molecular Weight262.19 g/mol
Exact Mass262.07
IUPAC Name2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cn[nH]c2C(F)(F)F)C1=O
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)6-5(3-14-15-6)16-2-1-4(7(13)17)8(16)18/h3-4H,1-2H2,(H2,13,17)(H,14,15)
InChIKeyKZKHLBBBCFENNN-UHFFFAOYSA-N
XLogP0.27
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 155046582) is 2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2cn[nH]c2C(F)(F)F)C1=O.
What is the InChIKey of 2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is KZKHLBBBCFENNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2/c10-9(11,12)6-5(3-14-15-6)16-2-1-4(7(13)17)8(16)18/h3-4H,1-2H2,(H2,13,17)(H,14,15).
What are the key properties of 2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide?
2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 262.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 155046582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).