1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione

C14H16F3N3O2 — CID 19585601

IUPAC1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)11-8-10(9-2-3-9)20(18-11)7-1-6-19-12(21)4-5-13(19)22/h8-9H,1-7H2
InChIKeyAYWXAFJAMMVYPY-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.32
Rot. Bonds5

About 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione

1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 19585601) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID19585601
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)11-8-10(9-2-3-9)20(18-11)7-1-6-19-12(21)4-5-13(19)22/h8-9H,1-7H2
InChIKeyAYWXAFJAMMVYPY-UHFFFAOYSA-N
XLogP2.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione (CID 19585601) is 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is AYWXAFJAMMVYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)11-8-10(9-2-3-9)20(18-11)7-1-6-19-12(21)4-5-13(19)22/h8-9H,1-7H2.
What are the key properties of 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione?
1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 315.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 19585601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).