[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone

C22H23N3O2 — CID 42188970

IUPAC[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H23N3O2/c26-22(19-14-23-24-15-19)25-11-12-27-20(16-25)13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,14-15,20-21H,11-13,16H2,(H,23,24)/t20-/m0/s1
InChIKeyHKAARKFLVINFOV-FQEVSTJZSA-N
MW361.45 g/mol
LogP3.47
Rot. Bonds5

About [(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone

[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 42188970) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID42188970
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H23N3O2/c26-22(19-14-23-24-15-19)25-11-12-27-20(16-25)13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,14-15,20-21H,11-13,16H2,(H,23,24)/t20-/m0/s1
InChIKeyHKAARKFLVINFOV-FQEVSTJZSA-N
XLogP3.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (CID 42188970) is [(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is HKAARKFLVINFOV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(19-14-23-24-15-19)25-11-12-27-20(16-25)13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,14-15,20-21H,11-13,16H2,(H,23,24)/t20-/m0/s1.
What are the key properties of [(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 42188970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).