[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

C12H19N3O3 — CID 114779021

IUPAC[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H19N3O3/c1-12(2)8-15(6-9(7-16)18-12)11(17)10-4-5-13-14(10)3/h4-5,9,16H,6-8H2,1-3H3
InChIKeyKZCQSABBRKWDCR-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.03
Rot. Bonds2

About [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 114779021) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID114779021
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H19N3O3/c1-12(2)8-15(6-9(7-16)18-12)11(17)10-4-5-13-14(10)3/h4-5,9,16H,6-8H2,1-3H3
InChIKeyKZCQSABBRKWDCR-UHFFFAOYSA-N
XLogP0.03
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778904
(1,5-dimethylpyrrol-2-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778641
(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776070
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 114022742
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753478
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-5-nitropyrrol-2-yl)methanone
CID 114778541
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
(3-ethyl-1-methylpyrazol-4-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 102810891
(2-amino-4-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780098
2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid
CID 114778133
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-3-yl)methanone
CID 114821834

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone (CID 114779021) is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is KZCQSABBRKWDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2)8-15(6-9(7-16)18-12)11(17)10-4-5-13-14(10)3/h4-5,9,16H,6-8H2,1-3H3.
What are the key properties of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 253.30 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 114779021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).