(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol

C17H30N4O2 — CID 129427408

IUPAC(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@H](O)CN2CCC[C@H]2c2cnn(C)c2)C[C@H](C)O1
InChIInChI=1S/C17H30N4O2/c1-13-8-20(9-14(2)23-13)11-16(22)12-21-6-4-5-17(21)15-7-18-19(3)10-15/h7,10,13-14,16-17,22H,4-6,8-9,11-12H2,1-3H3/t13-,14+,16-,17-/m0/s1
InChIKeyAPFXFVVMAXHYED-FSDCSDTHSA-N
MW322.45 g/mol
LogP1.03
Rot. Bonds5

About (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol

(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 129427408) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
PubChem CID129427408
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@H](O)CN2CCC[C@H]2c2cnn(C)c2)C[C@H](C)O1
InChIInChI=1S/C17H30N4O2/c1-13-8-20(9-14(2)23-13)11-16(22)12-21-6-4-5-17(21)15-7-18-19(3)10-15/h7,10,13-14,16-17,22H,4-6,8-9,11-12H2,1-3H3/t13-,14+,16-,17-/m0/s1
InChIKeyAPFXFVVMAXHYED-FSDCSDTHSA-N
XLogP1.03
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 56780817
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95752296
1-(4-methoxyphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 56825195
(2S)-1-(4-fluorophenoxy)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95569820
4-[(2S)-2-hydroxy-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 95569846
4-[(2R)-2-hydroxy-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 98763564
4-[(2R)-2-hydroxy-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 100844016
1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350128
1-methyl-4-[(2R)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350127
(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100844004
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
CID 51619077
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol (CID 129427408) is (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol is C[C@@H]1CN(C[C@H](O)CN2CCC[C@H]2c2cnn(C)c2)C[C@H](C)O1.
What is the InChIKey of (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is APFXFVVMAXHYED-FSDCSDTHSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13-8-20(9-14(2)23-13)11-16(22)12-21-6-4-5-17(21)15-7-18-19(3)10-15/h7,10,13-14,16-17,22H,4-6,8-9,11-12H2,1-3H3/t13-,14+,16-,17-/m0/s1.
What are the key properties of (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 129427408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).