(2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide

C15H23F3N4O2 — CID 124621242

IUPAC(2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@@H]1CN[C@@H](C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)C1
InChIInChI=1S/C15H23F3N4O2/c1-8(20-14(23)12-5-11(24-4)6-19-12)13-9(2)21-22(10(13)3)7-15(16,17)18/h8,11-12,19H,5-7H2,1-4H3,(H,20,23)/t8-,11+,12-/m1/s1
InChIKeyBHQPWRJKQMAAFN-JFUSQASVSA-N
MW348.37 g/mol
LogP1.62
Rot. Bonds5

About (2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide

(2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 124621242) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is (2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID124621242
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name(2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@@H]1CN[C@@H](C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)C1
InChIInChI=1S/C15H23F3N4O2/c1-8(20-14(23)12-5-11(24-4)6-19-12)13-9(2)21-22(10(13)3)7-15(16,17)18/h8,11-12,19H,5-7H2,1-4H3,(H,20,23)/t8-,11+,12-/m1/s1
InChIKeyBHQPWRJKQMAAFN-JFUSQASVSA-N
XLogP1.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N~1~-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~2~-(2-methoxyethyl)-N~2~-methylglycinamide
CID 118774020
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 48652119
methyl (2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoate
CID 48653643
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 48655687
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide
CID 75517525
2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 86780066
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 86863395
(2S)-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(2R,3R)-2-methyloxolan-3-yl]propanamide
CID 97802404
(2S)-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(2R,3S)-2-methyloxolan-3-yl]propanamide
CID 97802406
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 99776144
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 99776145

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide (CID 124621242) is (2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide is CO[C@@H]1CN[C@@H](C(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)C1.
What is the InChIKey of (2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is BHQPWRJKQMAAFN-JFUSQASVSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-8(20-14(23)12-5-11(24-4)6-19-12)13-9(2)21-22(10(13)3)7-15(16,17)18/h8,11-12,19H,5-7H2,1-4H3,(H,20,23)/t8-,11+,12-/m1/s1.
What are the key properties of (2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide?
(2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 124621242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).