[3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

C11H17N3O4 — CID 71785828

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCOCC1CO
InChIInChI=1S/C11H17N3O4/c1-13-5-9(10(12-13)17-2)11(16)14-3-4-18-7-8(14)6-15/h5,8,15H,3-4,6-7H2,1-2H3
InChIKeySYYHVXOQYCJEEP-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.74
Rot. Bonds3

About [3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

[3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 71785828) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID71785828
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCOCC1CO
InChIInChI=1S/C11H17N3O4/c1-13-5-9(10(12-13)17-2)11(16)14-3-4-18-7-8(14)6-15/h5,8,15H,3-4,6-7H2,1-2H3
InChIKeySYYHVXOQYCJEEP-UHFFFAOYSA-N
XLogP-0.74
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314
[3-(chloromethyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811387
[3-(bromomethyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811388
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 40805287
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114924753
(5-chloropyrazin-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107372202

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 71785828) is [3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is COc1nn(C)cc1C(=O)N1CCOCC1CO.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is SYYHVXOQYCJEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-13-5-9(10(12-13)17-2)11(16)14-3-4-18-7-8(14)6-15/h5,8,15H,3-4,6-7H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
[3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 255.27 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 71785828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).