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

C21H22N4O2 — CID 97305915

IUPAC[(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccncc1)N1CCO[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c26-21(19-14-23-24-20(19)17-8-10-22-11-9-17)25-12-13-27-18(15-25)7-6-16-4-2-1-3-5-16/h1-5,8-11,14,18H,6-7,12-13,15H2,(H,23,24)/t18-/m0/s1
InChIKeyYVSKSOMCGORGFB-SFHVURJKSA-N
MW362.43 g/mol
LogP2.95
Rot. Bonds5

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

[(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone (PubChem CID 97305915) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone
PubChem CID97305915
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccncc1)N1CCO[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c26-21(19-14-23-24-20(19)17-8-10-22-11-9-17)25-12-13-27-18(15-25)7-6-16-4-2-1-3-5-16/h1-5,8-11,14,18H,6-7,12-13,15H2,(H,23,24)/t18-/m0/s1
InChIKeyYVSKSOMCGORGFB-SFHVURJKSA-N
XLogP2.95
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 95401254
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95553259
(3S)-1-(5-pyridin-4-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129466182
1-(5-pyridin-4-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354808
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 110740938
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 125118691
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone (CID 97305915) is [(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1ccncc1)N1CCO[C@@H](CCc2ccccc2)C1.
What is the InChIKey of [(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is YVSKSOMCGORGFB-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(19-14-23-24-20(19)17-8-10-22-11-9-17)25-12-13-27-18(15-25)7-6-16-4-2-1-3-5-16/h1-5,8-11,14,18H,6-7,12-13,15H2,(H,23,24)/t18-/m0/s1.
What are the key properties of [(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone?
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 97305915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).