[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol

C17H23N3O2 — CID 134704142

IUPAC[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCCn1cc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cn1
InChIInChI=1S/C17H23N3O2/c1-2-20-12-14(10-18-20)11-19-8-9-22-16(13-21)17(19)15-6-4-3-5-7-15/h3-7,10,12,16-17,21H,2,8-9,11,13H2,1H3/t16-,17-/m1/s1
InChIKeyBVHPBFRAOYGHBL-IAGOWNOFSA-N
MW301.39 g/mol
LogP1.84
Rot. Bonds5

About [(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol

[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol (PubChem CID 134704142) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
PubChem CID134704142
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCCn1cc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cn1
InChIInChI=1S/C17H23N3O2/c1-2-20-12-14(10-18-20)11-19-8-9-22-16(13-21)17(19)15-6-4-3-5-7-15/h3-7,10,12,16-17,21H,2,8-9,11,13H2,1H3/t16-,17-/m1/s1
InChIKeyBVHPBFRAOYGHBL-IAGOWNOFSA-N
XLogP1.84
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711284
[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134702161
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134709769
[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 155911732
[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134712032
(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134705844
2-[3-[[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methyl]phenoxy]ethanol
CID 134699437
[(2S,3R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134703932
[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711340
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
(4aR,7aS)-1-benzyl-4-[(1-ethylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70743884

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol (CID 134704142) is [(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol is CCn1cc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cn1.
What is the InChIKey of [(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
The InChIKey is BVHPBFRAOYGHBL-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-20-12-14(10-18-20)11-19-8-9-22-16(13-21)17(19)15-6-4-3-5-7-15/h3-7,10,12,16-17,21H,2,8-9,11,13H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol?
[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol has a molecular weight of 301.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol is sourced from PubChem (CID 134704142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).