1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone

C11H14F3N3O — CID 122633445

IUPAC1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2nc(C(F)(F)F)cc2C)C1
InChIInChI=1S/C11H14F3N3O/c1-7-5-10(11(12,13)14)15-17(7)9-3-4-16(6-9)8(2)18/h5,9H,3-4,6H2,1-2H3
InChIKeyHZGSOOZNOMGSJH-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.00
Rot. Bonds1

About 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone

1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone (PubChem CID 122633445) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
PubChem CID122633445
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2nc(C(F)(F)F)cc2C)C1
InChIInChI=1S/C11H14F3N3O/c1-7-5-10(11(12,13)14)15-17(7)9-3-4-16(6-9)8(2)18/h5,9H,3-4,6H2,1-2H3
InChIKeyHZGSOOZNOMGSJH-UHFFFAOYSA-N
XLogP2.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone (CID 122633445) is 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(n2nc(C(F)(F)F)cc2C)C1.
What is the InChIKey of 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is HZGSOOZNOMGSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7-5-10(11(12,13)14)15-17(7)9-3-4-16(6-9)8(2)18/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 261.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 122633445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).