1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C10H12F3N3O — CID 39891875

IUPAC1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCCC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-6-16(14-8)7-9(17)15-4-1-2-5-15/h3,6H,1-2,4-5,7H2
InChIKeyACNQECDFFPQUCJ-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.52
Rot. Bonds2

About 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 39891875) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID39891875
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCCC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-6-16(14-8)7-9(17)15-4-1-2-5-15/h3,6H,1-2,4-5,7H2
InChIKeyACNQECDFFPQUCJ-UHFFFAOYSA-N
XLogP1.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 39891875) is 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is O=C(Cn1ccc(C(F)(F)F)n1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is ACNQECDFFPQUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-3-6-16(14-8)7-9(17)15-4-1-2-5-15/h3,6H,1-2,4-5,7H2.
What are the key properties of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 247.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 39891875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).