(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone

C9H12BrN3O2 — CID 559877

IUPAC(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCn1cc(Br)c(C(=O)N2CCOCC2)n1
InChIInChI=1S/C9H12BrN3O2/c1-12-6-7(10)8(11-12)9(14)13-2-4-15-5-3-13/h6H,2-5H2,1H3
InChIKeyNXHWSPPVORTWRS-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.65
Rot. Bonds1

About (4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone

(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 559877) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID559877
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCn1cc(Br)c(C(=O)N2CCOCC2)n1
InChIInChI=1S/C9H12BrN3O2/c1-12-6-7(10)8(11-12)9(14)13-2-4-15-5-3-13/h6H,2-5H2,1H3
InChIKeyNXHWSPPVORTWRS-UHFFFAOYSA-N
XLogP0.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(bromomethyl)azetidin-1-yl]-(4-bromo-1-methylpyrazol-3-yl)methanone
CID 164646845
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
2-[4-(4-bromo-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 24810974
(4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 171384981
(4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 24810866
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
4-bromo-1-methylpyrazole-3-carbohydrazide
CID 605116
(4-amino-1-methylpyrazol-3-yl)-(azocan-1-yl)methanone
CID 65354711
(3,4-diiodo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone
CID 30225058
(4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone
CID 798383
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
6-hydroxy-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]naphthalene-1-carboxamide
CID 167871752

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone (CID 559877) is (4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone is Cn1cc(Br)c(C(=O)N2CCOCC2)n1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is NXHWSPPVORTWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-12-6-7(10)8(11-12)9(14)13-2-4-15-5-3-13/h6H,2-5H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone?
(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 274.12 g/mol, XLogP of 0.65, 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-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 559877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).