[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone

C21H21N3O3 — CID 97134508

IUPAC[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C21H21N3O3/c1-26-19-10-6-5-9-18(19)24-14-17(13-22-24)21(25)23-11-12-27-20(15-23)16-7-3-2-4-8-16/h2-10,13-14,20H,11-12,15H2,1H3/t20-/m1/s1
InChIKeyYGXIWRICRTVNNS-HXUWFJFHSA-N
MW363.42 g/mol
LogP3.09
Rot. Bonds4

About [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone

[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone (PubChem CID 97134508) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
PubChem CID97134508
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C21H21N3O3/c1-26-19-10-6-5-9-18(19)24-14-17(13-22-24)21(25)23-11-12-27-20(15-23)16-7-3-2-4-8-16/h2-10,13-14,20H,11-12,15H2,1H3/t20-/m1/s1
InChIKeyYGXIWRICRTVNNS-HXUWFJFHSA-N
XLogP3.09
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97153764
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 95885542
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
1-(2-methoxyphenyl)-4-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 134040096
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97280069
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97119728
2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 31414964
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 166614439
[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 154568541

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone (CID 97134508) is [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone is COc1ccccc1-n1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cn1.
What is the InChIKey of [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is YGXIWRICRTVNNS-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-19-10-6-5-9-18(19)24-14-17(13-22-24)21(25)23-11-12-27-20(15-23)16-7-3-2-4-8-16/h2-10,13-14,20H,11-12,15H2,1H3/t20-/m1/s1.
What are the key properties of [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 97134508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).