[2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone

C21H24F3N3O — CID 166272083

IUPAC[2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone
SMILESCC1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1ccn2c1CNCC2
InChIInChI=1S/C21H24F3N3O/c1-20(13-15-5-2-3-6-17(15)21(22,23)24)8-4-10-27(20)19(28)16-7-11-26-12-9-25-14-18(16)26/h2-3,5-7,11,25H,4,8-10,12-14H2,1H3
InChIKeyPOBJZVUVHOPYGS-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.85
Rot. Bonds3

About [2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone

[2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone (PubChem CID 166272083) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is [2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone.

Molecular Properties

Compound Name[2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone
PubChem CID166272083
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name[2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone
SMILESCC1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1ccn2c1CNCC2
InChIInChI=1S/C21H24F3N3O/c1-20(13-15-5-2-3-6-17(15)21(22,23)24)8-4-10-27(20)19(28)16-7-11-26-12-9-25-14-18(16)26/h2-3,5-7,11,25H,4,8-10,12-14H2,1H3
InChIKeyPOBJZVUVHOPYGS-UHFFFAOYSA-N
XLogP3.85
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 146095172
(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 124570457
1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22248330
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 115101791
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 7145493
(1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone
CID 136549425
(2R)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761894
9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628852
3,3-dimethyl-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
CID 63607589
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643
ethyl 1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 26393021

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone?
The IUPAC name of [2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone (CID 166272083) is [2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone.
What is the SMILES notation for [2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone?
The canonical SMILES for [2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone is CC1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)c1ccn2c1CNCC2.
What is the InChIKey of [2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone?
The InChIKey is POBJZVUVHOPYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c1-20(13-15-5-2-3-6-17(15)21(22,23)24)8-4-10-27(20)19(28)16-7-11-26-12-9-25-14-18(16)26/h2-3,5-7,11,25H,4,8-10,12-14H2,1H3.
What are the key properties of [2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone?
[2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone has a molecular weight of 391.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone is sourced from PubChem (CID 166272083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).