[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone

C15H21F3N4O — CID 95292687

IUPAC[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C15H21F3N4O/c1-20-7-3-5-11(20)12-6-4-8-22(12)14(23)10-9-21(2)19-13(10)15(16,17)18/h9,11-12H,3-8H2,1-2H3/t11-,12+/m0/s1
InChIKeyODFQXOBLBAXMEA-NWDGAFQWSA-N
MW330.35 g/mol
LogP2.14
Rot. Bonds2

About [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone

[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone (PubChem CID 95292687) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
PubChem CID95292687
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C15H21F3N4O/c1-20-7-3-5-11(20)12-6-4-8-22(12)14(23)10-9-21(2)19-13(10)15(16,17)18/h9,11-12H,3-8H2,1-2H3/t11-,12+/m0/s1
InChIKeyODFQXOBLBAXMEA-NWDGAFQWSA-N
XLogP2.14
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclohexyl-1-methylpyrazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292675
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95758998
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 111561271
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 95294843
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95589917
(2-bromophenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95334489
1-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 94467076
(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 45285709
(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292643
(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95339680
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 95329119

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The IUPAC name of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone (CID 95292687) is [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone is CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The InChIKey is ODFQXOBLBAXMEA-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-20-7-3-5-11(20)12-6-4-8-22(12)14(23)10-9-21(2)19-13(10)15(16,17)18/h9,11-12H,3-8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone has a molecular weight of 330.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 95292687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).