2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone

C10H14BrN3O2 — CID 19575596

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone
SMILESCc1c(Br)cnn1CC(=O)N1CCOCC1
InChIInChI=1S/C10H14BrN3O2/c1-8-9(11)6-12-14(8)7-10(15)13-2-4-16-5-3-13/h6H,2-5,7H2,1H3
InChIKeyWJKFKQCGCPRJGY-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.81
Rot. Bonds2

About 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone

2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 19575596) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID19575596
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone
SMILESCc1c(Br)cnn1CC(=O)N1CCOCC1
InChIInChI=1S/C10H14BrN3O2/c1-8-9(11)6-12-14(8)7-10(15)13-2-4-16-5-3-13/h6H,2-5,7H2,1H3
InChIKeyWJKFKQCGCPRJGY-UHFFFAOYSA-N
XLogP0.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-bromo-5-methyl-1H-pyrazol-1-yl)acetate
CID 4420801
ethyl 2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetate
CID 4548072
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
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-morpholin-4-ylethan-1-one
CID 1100796
1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 94095763
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-[2-(morpholin-4-yl)ethyl]propanamide
CID 4777134
(2R,3S)-4-[(4-bromo-2-methylpyrazol-3-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 136581825
4-[(4-bromo-3-methyl-1H-pyrazol-1-yl)acetyl]morpholine
CID 4770175
Ethyl [4-bromo-3-(difluoromethyl)-1H-pyrazol-1-YL]acetate
CID 28307306
1-(morpholin-4-yl)-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
CID 45793839
1-(3-methylmorpholin-4-yl)-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
CID 51078093

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone (CID 19575596) is 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone is Cc1c(Br)cnn1CC(=O)N1CCOCC1.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is WJKFKQCGCPRJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-8-9(11)6-12-14(8)7-10(15)13-2-4-16-5-3-13/h6H,2-5,7H2,1H3.
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone?
2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 288.14 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 19575596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).