(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C11H17N3O3 — CID 81207907

IUPAC(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCc1c(C(=O)N2CCOC(CO)C2)cnn1C
InChIInChI=1S/C11H17N3O3/c1-8-10(5-12-13(8)2)11(16)14-3-4-17-9(6-14)7-15/h5,9,15H,3-4,6-7H2,1-2H3
InChIKeyOOCHFPPLYRQSRM-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.44
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81207907) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81207907
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCc1c(C(=O)N2CCOC(CO)C2)cnn1C
InChIInChI=1S/C11H17N3O3/c1-8-10(5-12-13(8)2)11(16)14-3-4-17-9(6-14)7-15/h5,9,15H,3-4,6-7H2,1-2H3
InChIKeyOOCHFPPLYRQSRM-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059633
[2-(hydroxymethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81442526
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 103511375
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 25373845
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
[2-(hydroxymethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103804091
3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 39570435
(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 80659902
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81207907) is (1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is Cc1c(C(=O)N2CCOC(CO)C2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is OOCHFPPLYRQSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-10(5-12-13(8)2)11(16)14-3-4-17-9(6-14)7-15/h5,9,15H,3-4,6-7H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 239.27 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81207907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).