[(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone

C16H19N3O2 — CID 99831933

IUPAC[(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESCCc1ccc([C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-12-3-5-13(6-4-12)15-11-19(7-8-21-15)16(20)14-9-17-18-10-14/h3-6,9-10,15H,2,7-8,11H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyJIUGDZIQSIXBFH-HNNXBMFYSA-N
MW285.35 g/mol
LogP2.19
Rot. Bonds3

About [(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone

[(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 99831933) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID99831933
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESCCc1ccc([C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-12-3-5-13(6-4-12)15-11-19(7-8-21-15)16(20)14-9-17-18-10-14/h3-6,9-10,15H,2,7-8,11H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyJIUGDZIQSIXBFH-HNNXBMFYSA-N
XLogP2.19
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (CID 99831933) is [(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is CCc1ccc([C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)cc1.
What is the InChIKey of [(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is JIUGDZIQSIXBFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-12-3-5-13(6-4-12)15-11-19(7-8-21-15)16(20)14-9-17-18-10-14/h3-6,9-10,15H,2,7-8,11H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of [(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
[(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-ethylphenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 99831933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).