N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide

C17H30N4O2 — CID 86795872

IUPACN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide
SMILESCc1nn(C(C)(C)C)cc1C(C)NC(=O)N1CC(C)OCC1C
InChIInChI=1S/C17H30N4O2/c1-11-10-23-12(2)8-20(11)16(22)18-13(3)15-9-21(17(5,6)7)19-14(15)4/h9,11-13H,8,10H2,1-7H3,(H,18,22)
InChIKeyHLXOJSVGPYIUGD-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.83
Rot. Bonds2

About N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide (PubChem CID 86795872) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide
PubChem CID86795872
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide
SMILESCc1nn(C(C)(C)C)cc1C(C)NC(=O)N1CC(C)OCC1C
InChIInChI=1S/C17H30N4O2/c1-11-10-23-12(2)8-20(11)16(22)18-13(3)15-9-21(17(5,6)7)19-14(15)4/h9,11-13H,8,10H2,1-7H3,(H,18,22)
InChIKeyHLXOJSVGPYIUGD-UHFFFAOYSA-N
XLogP2.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide (CID 86795872) is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide is Cc1nn(C(C)(C)C)cc1C(C)NC(=O)N1CC(C)OCC1C.
What is the InChIKey of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide?
The InChIKey is HLXOJSVGPYIUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11-10-23-12(2)8-20(11)16(22)18-13(3)15-9-21(17(5,6)7)19-14(15)4/h9,11-13H,8,10H2,1-7H3,(H,18,22).
What are the key properties of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide?
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 86795872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).