(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C12H20N4O3 — CID 114776070

IUPAC(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCn1ncc(N)c1C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H20N4O3/c1-12(2)7-16(5-8(6-17)19-12)11(18)10-9(13)4-14-15(10)3/h4,8,17H,5-7,13H2,1-3H3
InChIKeyAELSKRCMRUTUEG-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.39
Rot. Bonds2

About (4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114776070) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114776070
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCn1ncc(N)c1C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H20N4O3/c1-12(2)7-16(5-8(6-17)19-12)11(18)10-9(13)4-14-15(10)3/h4,8,17H,5-7,13H2,1-3H3
InChIKeyAELSKRCMRUTUEG-UHFFFAOYSA-N
XLogP-0.39
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 114779021
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
(6-aminopyridazin-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780099
(2-amino-4,5-difluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776082
(2,4-diaminophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776081
(2,5-dimethylpyrazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778904
(2-amino-5-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776111
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
(2-amino-4-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780098
(4-amino-3-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776793
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 114022742
(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776065

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114776070) is (4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is Cn1ncc(N)c1C(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is AELSKRCMRUTUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2)7-16(5-8(6-17)19-12)11(18)10-9(13)4-14-15(10)3/h4,8,17H,5-7,13H2,1-3H3.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 268.32 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114776070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).