2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone

C11H14F3N3O — CID 813457

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCCC1
InChIInChI=1S/C11H14F3N3O/c1-8-6-9(11(12,13)14)15-17(8)7-10(18)16-4-2-3-5-16/h6H,2-5,7H2,1H3
InChIKeyZXXNDINPSCMZGO-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.83
Rot. Bonds2

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 813457) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID813457
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCCC1
InChIInChI=1S/C11H14F3N3O/c1-8-6-9(11(12,13)14)15-17(8)7-10(18)16-4-2-3-5-16/h6H,2-5,7H2,1H3
InChIKeyZXXNDINPSCMZGO-UHFFFAOYSA-N
XLogP1.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone (CID 813457) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCC1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is ZXXNDINPSCMZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-8-6-9(11(12,13)14)15-17(8)7-10(18)16-4-2-3-5-16/h6H,2-5,7H2,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 261.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 813457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).