(2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine

C17H31N3O — CID 155498776

IUPAC(2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine
SMILESCCCC[C@@H]1CN(CCn2ccc(C)n2)C[C@H](C(C)C)O1
InChIInChI=1S/C17H31N3O/c1-5-6-7-16-12-19(13-17(21-16)14(2)3)10-11-20-9-8-15(4)18-20/h8-9,14,16-17H,5-7,10-13H2,1-4H3/t16-,17-/m1/s1
InChIKeyWFPZFDIVOSUQHI-IAGOWNOFSA-N
MW293.45 g/mol
LogP3.11
Rot. Bonds7

About (2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine

(2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine (PubChem CID 155498776) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is (2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine
PubChem CID155498776
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name(2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine
SMILESCCCC[C@@H]1CN(CCn2ccc(C)n2)C[C@H](C(C)C)O1
InChIInChI=1S/C17H31N3O/c1-5-6-7-16-12-19(13-17(21-16)14(2)3)10-11-20-9-8-15(4)18-20/h8-9,14,16-17H,5-7,10-13H2,1-4H3/t16-,17-/m1/s1
InChIKeyWFPZFDIVOSUQHI-IAGOWNOFSA-N
XLogP3.11
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine?
The IUPAC name of (2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine (CID 155498776) is (2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine.
What is the SMILES notation for (2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine?
The canonical SMILES for (2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine is CCCC[C@@H]1CN(CCn2ccc(C)n2)C[C@H](C(C)C)O1.
What is the InChIKey of (2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine?
The InChIKey is WFPZFDIVOSUQHI-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-6-7-16-12-19(13-17(21-16)14(2)3)10-11-20-9-8-15(4)18-20/h8-9,14,16-17H,5-7,10-13H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of (2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine?
(2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine has a molecular weight of 293.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-butyl-4-[2-(3-methylpyrazol-1-yl)ethyl]-6-propan-2-ylmorpholine is sourced from PubChem (CID 155498776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).