(4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C11H16BrN3O2 — CID 1220626

IUPAC(4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2c(Br)cnn2C)C[C@H](C)O1
InChIInChI=1S/C11H16BrN3O2/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/t7-,8-/m0/s1
InChIKeyKQJDENLJKNYSHN-YUMQZZPRSA-N
MW302.17 g/mol
LogP1.43
Rot. Bonds1

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

(4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 1220626) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID1220626
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2c(Br)cnn2C)C[C@H](C)O1
InChIInChI=1S/C11H16BrN3O2/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/t7-,8-/m0/s1
InChIKeyKQJDENLJKNYSHN-YUMQZZPRSA-N
XLogP1.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane
CID 1219586
(4-Bromo-2-methylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 1219595
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
4-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 1219641
(4-Bromo-2-methylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 4391269
4-Bromo-N,N,1-triethyl-1H-pyrazole-5-carboxamide
CID 4770548
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
2,6-dimethyl-4-[(1-methyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 5057975
4-bromo-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
CID 19267516
(4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
CID 35527352
4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 19575349

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 1220626) is (4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2c(Br)cnn2C)C[C@H](C)O1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is KQJDENLJKNYSHN-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H16BrN3O2/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/t7-,8-/m0/s1.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 302.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 1220626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).