(3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone

C12H16F3N3O — CID 145315895

IUPAC(3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESCCC1CN(C(=O)n2cc(C(F)(F)F)cn2)CC1C
InChIInChI=1S/C12H16F3N3O/c1-3-9-6-17(5-8(9)2)11(19)18-7-10(4-16-18)12(13,14)15/h4,7-9H,3,5-6H2,1-2H3
InChIKeyDKLDXPUNTBWMCJ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.85
Rot. Bonds1

About (3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone

(3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 145315895) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is (3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID145315895
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name(3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESCCC1CN(C(=O)n2cc(C(F)(F)F)cn2)CC1C
InChIInChI=1S/C12H16F3N3O/c1-3-9-6-17(5-8(9)2)11(19)18-7-10(4-16-18)12(13,14)15/h4,7-9H,3,5-6H2,1-2H3
InChIKeyDKLDXPUNTBWMCJ-UHFFFAOYSA-N
XLogP2.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of (3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone (CID 145315895) is (3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for (3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for (3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone is CCC1CN(C(=O)n2cc(C(F)(F)F)cn2)CC1C.
What is the InChIKey of (3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is DKLDXPUNTBWMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-3-9-6-17(5-8(9)2)11(19)18-7-10(4-16-18)12(13,14)15/h4,7-9H,3,5-6H2,1-2H3.
What are the key properties of (3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
(3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 275.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 145315895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).