[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone

C23H25N3O3 — CID 38002651

IUPAC[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CCO1
InChIInChI=1S/C23H25N3O3/c1-3-19-15-25(12-13-29-19)23(27)21-16-26(18-9-5-4-6-10-18)24-22(21)17-8-7-11-20(14-17)28-2/h4-11,14,16,19H,3,12-13,15H2,1-2H3/t19-/m0/s1
InChIKeyAOTQWQCOWMAODV-IBGZPJMESA-N
MW391.47 g/mol
LogP3.80
Rot. Bonds5

About [(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone

[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone (PubChem CID 38002651) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
PubChem CID38002651
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CCO1
InChIInChI=1S/C23H25N3O3/c1-3-19-15-25(12-13-29-19)23(27)21-16-26(18-9-5-4-6-10-18)24-22(21)17-8-7-11-20(14-17)28-2/h4-11,14,16,19H,3,12-13,15H2,1-2H3/t19-/m0/s1
InChIKeyAOTQWQCOWMAODV-IBGZPJMESA-N
XLogP3.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124693422
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613068
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
1-[4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 52573416
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide
CID 24598452
1,4-diazepan-1-yl-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119417117
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46664061
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 112793080
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 27660802
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 35834289

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
The IUPAC name of [(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone (CID 38002651) is [(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
The canonical SMILES for [(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone is CC[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CCO1.
What is the InChIKey of [(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
The InChIKey is AOTQWQCOWMAODV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-19-15-25(12-13-29-19)23(27)21-16-26(18-9-5-4-6-10-18)24-22(21)17-8-7-11-20(14-17)28-2/h4-11,14,16,19H,3,12-13,15H2,1-2H3/t19-/m0/s1.
What are the key properties of [(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone is sourced from PubChem (CID 38002651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).