[(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C20H19N3O2 — CID 31415679

IUPAC[(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C20H19N3O2/c24-20(18-13-17(21-22-18)15-7-3-1-4-8-15)23-11-12-25-19(14-23)16-9-5-2-6-10-16/h1-10,13,19H,11-12,14H2,(H,21,22)/t19-/m0/s1
InChIKeyREBSQEAWVSYDER-IBGZPJMESA-N
MW333.39 g/mol
LogP3.29
Rot. Bonds3

About [(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 31415679) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is [(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID31415679
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name[(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C20H19N3O2/c24-20(18-13-17(21-22-18)15-7-3-1-4-8-15)23-11-12-25-19(14-23)16-9-5-2-6-10-16/h1-10,13,19H,11-12,14H2,(H,21,22)/t19-/m0/s1
InChIKeyREBSQEAWVSYDER-IBGZPJMESA-N
XLogP3.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 31415679) is [(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of [(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is REBSQEAWVSYDER-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(18-13-17(21-22-18)15-7-3-1-4-8-15)23-11-12-25-19(14-23)16-9-5-2-6-10-16/h1-10,13,19H,11-12,14H2,(H,21,22)/t19-/m0/s1.
What are the key properties of [(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-phenylmorpholin-4-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 31415679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).