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

C17H21N3O2 — CID 95568921

IUPAC[(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)n[nH]1
InChIInChI=1S/C17H21N3O2/c1-2-6-14-11-15(19-18-14)17(21)20-9-10-22-16(12-20)13-7-4-3-5-8-13/h3-5,7-8,11,16H,2,6,9-10,12H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyGSTNPKNFAMZWHO-INIZCTEOSA-N
MW299.37 g/mol
LogP2.58
Rot. Bonds4

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

[(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 95568921) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID95568921
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)n[nH]1
InChIInChI=1S/C17H21N3O2/c1-2-6-14-11-15(19-18-14)17(21)20-9-10-22-16(12-20)13-7-4-3-5-8-13/h3-5,7-8,11,16H,2,6,9-10,12H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyGSTNPKNFAMZWHO-INIZCTEOSA-N
XLogP2.58
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.58
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]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 95568921) is [(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)n[nH]1.
What is the InChIKey of [(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is GSTNPKNFAMZWHO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-6-14-11-15(19-18-14)17(21)20-9-10-22-16(12-20)13-7-4-3-5-8-13/h3-5,7-8,11,16H,2,6,9-10,12H2,1H3,(H,18,19)/t16-/m0/s1.
What are the key properties of [(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[(2R)-2-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.58, 4 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]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 95568921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).