[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone

C23H25N3O3 — CID 95401254

IUPAC[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c1
InChIInChI=1S/C23H25N3O3/c1-28-19-9-5-8-18(14-19)22-21(15-24-25-22)23(27)26-12-13-29-20(16-26)11-10-17-6-3-2-4-7-17/h2-9,14-15,20H,10-13,16H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyYURQDFPSFZUUBW-FQEVSTJZSA-N
MW391.47 g/mol
LogP3.56
Rot. Bonds6

About [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone

[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone (PubChem CID 95401254) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
PubChem CID95401254
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c1
InChIInChI=1S/C23H25N3O3/c1-28-19-9-5-8-18(14-19)22-21(15-24-25-22)23(27)26-12-13-29-20(16-26)11-10-17-6-3-2-4-7-17/h2-9,14-15,20H,10-13,16H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyYURQDFPSFZUUBW-FQEVSTJZSA-N
XLogP3.56
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone
CID 97305915
4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid
CID 56877528
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56872933
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 70780400
[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 38002651
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
5-methoxy-2-[2-(2-phenylethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 56873403
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 74236610
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 25283547

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone?
The IUPAC name of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone (CID 95401254) is [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone?
The canonical SMILES for [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone is COc1cccc(-c2[nH]ncc2C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone?
The InChIKey is YURQDFPSFZUUBW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-19-9-5-8-18(14-19)22-21(15-24-25-22)23(27)26-12-13-29-20(16-26)11-10-17-6-3-2-4-7-17/h2-9,14-15,20H,10-13,16H2,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone?
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95401254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).