(5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone

C14H23N3O2 — CID 71936547

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCOCC2(C)C)n[nH]1
InChIInChI=1S/C14H23N3O2/c1-13(2,3)11-8-10(15-16-11)12(18)17-6-7-19-9-14(17,4)5/h8H,6-7,9H2,1-5H3,(H,15,16)
InChIKeyGGDRGEFOSFPCQX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.96
Rot. Bonds1

About (5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone

(5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 71936547) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID71936547
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCOCC2(C)C)n[nH]1
InChIInChI=1S/C14H23N3O2/c1-13(2,3)11-8-10(15-16-11)12(18)17-6-7-19-9-14(17,4)5/h8H,6-7,9H2,1-5H3,(H,15,16)
InChIKeyGGDRGEFOSFPCQX-UHFFFAOYSA-N
XLogP1.96
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone (CID 71936547) is (5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone is CC(C)(C)c1cc(C(=O)N2CCOCC2(C)C)n[nH]1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is GGDRGEFOSFPCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-13(2,3)11-8-10(15-16-11)12(18)17-6-7-19-9-14(17,4)5/h8H,6-7,9H2,1-5H3,(H,15,16).
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 71936547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).