(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone

C11H16IN3O2 — CID 5143812

IUPAC(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone
SMILESCC1CN(C(=O)c2c(I)cnn2C)CC(C)O1
InChIInChI=1S/C11H16IN3O2/c1-7-5-15(6-8(2)17-7)11(16)10-9(12)4-13-14(10)3/h4,7-8H,5-6H2,1-3H3
InChIKeyIBCUXCRGJLIMAG-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.27
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone (PubChem CID 5143812) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone
PubChem CID5143812
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone
SMILESCC1CN(C(=O)c2c(I)cnn2C)CC(C)O1
InChIInChI=1S/C11H16IN3O2/c1-7-5-15(6-8(2)17-7)11(16)10-9(12)4-13-14(10)3/h4,7-8H,5-6H2,1-3H3
InChIKeyIBCUXCRGJLIMAG-UHFFFAOYSA-N
XLogP1.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone
CID 4112680
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 35294940
(2,6-dimethylmorpholin-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 45147620
(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 11837908
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone
CID 17020381
(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35762905
5-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid
CID 19623713
(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959820

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone (CID 5143812) is (2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone is CC1CN(C(=O)c2c(I)cnn2C)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone?
The InChIKey is IBCUXCRGJLIMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-7-5-15(6-8(2)17-7)11(16)10-9(12)4-13-14(10)3/h4,7-8H,5-6H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone has a molecular weight of 349.17 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 5143812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).