2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone

C17H25N3O2 — CID 97330790

IUPAC2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)CC1=CCCCC1
InChIInChI=1S/C17H25N3O2/c1-12-17(13(2)19-18-12)15-11-22-9-8-20(15)16(21)10-14-6-4-3-5-7-14/h6,15H,3-5,7-11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyJZXBNDNHMPUYKQ-HNNXBMFYSA-N
MW303.41 g/mol
LogP2.82
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone

2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone (PubChem CID 97330790) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone
PubChem CID97330790
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)CC1=CCCCC1
InChIInChI=1S/C17H25N3O2/c1-12-17(13(2)19-18-12)15-11-22-9-8-20(15)16(21)10-14-6-4-3-5-7-14/h6,15H,3-5,7-11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyJZXBNDNHMPUYKQ-HNNXBMFYSA-N
XLogP2.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone (CID 97330790) is 2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone is Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone?
The InChIKey is JZXBNDNHMPUYKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-17(13(2)19-18-12)15-11-22-9-8-20(15)16(21)10-14-6-4-3-5-7-14/h6,15H,3-5,7-11H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone?
2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 97330790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).