4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide

C10H11F3N4O2 — CID 162617452

IUPAC4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
SMILESCn1nc(C2CNC(=O)C2C(N)=O)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N4O2/c1-17-6(10(11,12)13)2-5(16-17)4-3-15-9(19)7(4)8(14)18/h2,4,7H,3H2,1H3,(H2,14,18)(H,15,19)
InChIKeyCEFYXFFLSONGSZ-UHFFFAOYSA-N
MW276.22 g/mol
LogP-0.25
Rot. Bonds2

About 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide

4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 162617452) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
PubChem CID162617452
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
SMILESCn1nc(C2CNC(=O)C2C(N)=O)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N4O2/c1-17-6(10(11,12)13)2-5(16-17)4-3-15-9(19)7(4)8(14)18/h2,4,7H,3H2,1H3,(H2,14,18)(H,15,19)
InChIKeyCEFYXFFLSONGSZ-UHFFFAOYSA-N
XLogP-0.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]cyclopentanecarboxamide
CID 71808540
N-{(3S*,4R*)-1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-4-isopropyl-3-pyrrolidinyl}acetamide
CID 70788519
4-(1-methyl-1H-pyrazol-5-yl)pyrrolidin-2-one
CID 121599781
N-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 71807740
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N~1~-[3-(dimethylamino)propyl]propanamide
CID 19563898
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one
CID 134331590
(3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412705
(3S)-N-(2-fluorophenyl)-1-methyl-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 154617825
(3S,4R)-N-(2,3-difluorophenyl)-1-methyl-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 154617845
(3S,4R)-N-(2,4-difluorophenyl)-1-methyl-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 154617850
(3S,4R)-N-(2-fluorophenyl)-1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 154617851

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide (CID 162617452) is 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide is Cn1nc(C2CNC(=O)C2C(N)=O)cc1C(F)(F)F.
What is the InChIKey of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is CEFYXFFLSONGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-17-6(10(11,12)13)2-5(16-17)4-3-15-9(19)7(4)8(14)18/h2,4,7H,3H2,1H3,(H2,14,18)(H,15,19).
What are the key properties of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 276.22 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 162617452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).