(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide

C16H28N4O2 — CID 124742294

IUPAC(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
SMILESCC[C@@H]1CN([C@H](C)C(=O)Nc2ccnn2[C@@H](C)CC)CCO1
InChIInChI=1S/C16H28N4O2/c1-5-12(3)20-15(7-8-17-20)18-16(21)13(4)19-9-10-22-14(6-2)11-19/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,18,21)/t12-,13+,14+/m0/s1
InChIKeyXHHBSRVHZAQNNL-BFHYXJOUSA-N
MW308.43 g/mol
LogP2.29
Rot. Bonds6

About (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide

(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide (PubChem CID 124742294) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
PubChem CID124742294
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
SMILESCC[C@@H]1CN([C@H](C)C(=O)Nc2ccnn2[C@@H](C)CC)CCO1
InChIInChI=1S/C16H28N4O2/c1-5-12(3)20-15(7-8-17-20)18-16(21)13(4)19-9-10-22-14(6-2)11-19/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,18,21)/t12-,13+,14+/m0/s1
InChIKeyXHHBSRVHZAQNNL-BFHYXJOUSA-N
XLogP2.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide
CID 95329138
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 100841830
(2R)-2-[(2R)-2-methylmorpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 98716581
(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 100837005
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765
(2S)-N-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 95282446
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562386
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
CID 94183815
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide?
The IUPAC name of (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide (CID 124742294) is (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide?
The canonical SMILES for (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide is CC[C@@H]1CN([C@H](C)C(=O)Nc2ccnn2[C@@H](C)CC)CCO1.
What is the InChIKey of (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide?
The InChIKey is XHHBSRVHZAQNNL-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-12(3)20-15(7-8-17-20)18-16(21)13(4)19-9-10-22-14(6-2)11-19/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,18,21)/t12-,13+,14+/m0/s1.
What are the key properties of (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide?
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide has a molecular weight of 308.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 124742294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).