(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone

C22H23N3O3 — CID 134705844

IUPAC(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C22H23N3O3/c26-16-20-21(18-9-5-2-6-10-18)25(11-12-28-20)22(27)19-13-23-24(15-19)14-17-7-3-1-4-8-17/h1-10,13,15,20-21,26H,11-12,14,16H2/t20-,21-/m1/s1
InChIKeyMEFYRMMSFVVEKK-NHCUHLMSSA-N
MW377.44 g/mol
LogP2.51
Rot. Bonds5

About (1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone

(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone (PubChem CID 134705844) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
PubChem CID134705844
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C22H23N3O3/c26-16-20-21(18-9-5-2-6-10-18)25(11-12-28-20)22(27)19-13-23-24(15-19)14-17-7-3-1-4-8-17/h1-10,13,15,20-21,26H,11-12,14,16H2/t20-,21-/m1/s1
InChIKeyMEFYRMMSFVVEKK-NHCUHLMSSA-N
XLogP2.51
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 134711695
[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 155909009
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 134704281
[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone
CID 94486996
[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134704142
(2,6-dimethyl-3-pyridinyl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134712913
(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155507363
N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
CID 134695894
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318
(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70718443
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
The IUPAC name of (1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone (CID 134705844) is (1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone is O=C(c1cnn(Cc2ccccc2)c1)N1CCO[C@H](CO)[C@H]1c1ccccc1.
What is the InChIKey of (1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
The InChIKey is MEFYRMMSFVVEKK-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-16-20-21(18-9-5-2-6-10-18)25(11-12-28-20)22(27)19-13-23-24(15-19)14-17-7-3-1-4-8-17/h1-10,13,15,20-21,26H,11-12,14,16H2/t20-,21-/m1/s1.
What are the key properties of (1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone has a molecular weight of 377.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 134705844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).