cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone

C17H27N3O2 — CID 97256154

IUPACcyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H27N3O2/c1-12-16(13(2)19(3)18-12)15-11-22-10-9-20(15)17(21)14-7-5-4-6-8-14/h14-15H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyDOXSOWDLGNOEPF-OAHLLOKOSA-N
MW305.42 g/mol
LogP2.52
Rot. Bonds2

About cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone

cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 97256154) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID97256154
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Namecyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H27N3O2/c1-12-16(13(2)19(3)18-12)15-11-22-10-9-20(15)17(21)14-7-5-4-6-8-14/h14-15H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyDOXSOWDLGNOEPF-OAHLLOKOSA-N
XLogP2.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone (CID 97256154) is cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone is Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is DOXSOWDLGNOEPF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-16(13(2)19(3)18-12)15-11-22-10-9-20(15)17(21)14-7-5-4-6-8-14/h14-15H,4-11H2,1-3H3/t15-/m1/s1.
What are the key properties of cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 97256154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).