1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

C16H26N4O2 — CID 97026533

IUPAC1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCC[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C16H26N4O2/c1-3-14-10-19(11-15(14)18-4-6-22-7-5-18)16(21)12-20-9-13(2)8-17-20/h8-9,14-15H,3-7,10-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyPLAQNNJGVCEGRN-CABCVRRESA-N
MW306.41 g/mol
LogP0.76
Rot. Bonds4

About 1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 97026533) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID97026533
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCC[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C16H26N4O2/c1-3-14-10-19(11-15(14)18-4-6-22-7-5-18)16(21)12-20-9-13(2)8-17-20/h8-9,14-15H,3-7,10-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyPLAQNNJGVCEGRN-CABCVRRESA-N
XLogP0.76
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 97026542
1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
CID 156799354
(6S)-1-[2-(4-methylpyrazol-1-yl)acetyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124940394
2-(4-methylpyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 146126134
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 71927864
1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 92632639
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 154737500
2-[(3S,4S)-4-(3-bromophenoxy)-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078290
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026569
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 71872087
(4-ethyl-2-methylpyrimidin-5-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96996311
1-[(4S,5S)-4-hydroxy-5-[methyl(oxan-4-yl)amino]azepan-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 110128457

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 97026533) is 1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is CC[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@@H]1N1CCOCC1.
What is the InChIKey of 1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is PLAQNNJGVCEGRN-CABCVRRESA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-14-10-19(11-15(14)18-4-6-22-7-5-18)16(21)12-20-9-13(2)8-17-20/h8-9,14-15H,3-7,10-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 306.41 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 97026533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).