[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone

C21H21N3O2 — CID 31415549

IUPAC[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-11-12-22-24(16)19-9-7-18(8-10-19)21(25)23-13-14-26-20(15-23)17-5-3-2-4-6-17/h2-12,20H,13-15H2,1H3/t20-/m1/s1
InChIKeyZNCVNKYXPUTASL-HXUWFJFHSA-N
MW347.42 g/mol
LogP3.39
Rot. Bonds3

About [4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone

[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone (PubChem CID 31415549) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
PubChem CID31415549
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-11-12-22-24(16)19-9-7-18(8-10-19)21(25)23-13-14-26-20(15-23)17-5-3-2-4-6-17/h2-12,20H,13-15H2,1H3/t20-/m1/s1
InChIKeyZNCVNKYXPUTASL-HXUWFJFHSA-N
XLogP3.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 131903363
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
CID 35266981
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 96556883
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 47021336

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone (CID 31415549) is [4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone is Cc1ccnn1-c1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of [4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is ZNCVNKYXPUTASL-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-11-12-22-24(16)19-9-7-18(8-10-19)21(25)23-13-14-26-20(15-23)17-5-3-2-4-6-17/h2-12,20H,13-15H2,1H3/t20-/m1/s1.
What are the key properties of [4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 31415549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).