(2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one

C17H28N4O3 — CID 98787315

IUPAC(2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)C(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H28N4O3/c1-3-21-12-15(11-19-21)16-14(4-7-24-16)10-18-13(2)17(22)20-5-8-23-9-6-20/h11-14,16,18H,3-10H2,1-2H3/t13-,14+,16-/m1/s1
InChIKeyPJHQZMWYMJVJLF-IJEWVQPXSA-N
MW336.44 g/mol
LogP0.82
Rot. Bonds6

About (2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one

(2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 98787315) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID98787315
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)C(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H28N4O3/c1-3-21-12-15(11-19-21)16-14(4-7-24-16)10-18-13(2)17(22)20-5-8-23-9-6-20/h11-14,16,18H,3-10H2,1-2H3/t13-,14+,16-/m1/s1
InChIKeyPJHQZMWYMJVJLF-IJEWVQPXSA-N
XLogP0.82
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 71873016
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 71928582
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96835165
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 146135749
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
(1S)-1-(2,4-difluorophenyl)-N-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]propan-1-amine
CID 97025833
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-propan-2-ylguanidine
CID 122099176
2-[(2-methylcyclohexyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 55013356

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one (CID 98787315) is (2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one is CCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)C(=O)N2CCOCC2)cn1.
What is the InChIKey of (2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is PJHQZMWYMJVJLF-IJEWVQPXSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-21-12-15(11-19-21)16-14(4-7-24-16)10-18-13(2)17(22)20-5-8-23-9-6-20/h11-14,16,18H,3-10H2,1-2H3/t13-,14+,16-/m1/s1.
What are the key properties of (2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
(2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 336.44 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 98787315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).