2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide

C11H17BrN4O2 — CID 19575310

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide
SMILESCc1nn(C(C)C(=O)NN2CCOCC2)cc1Br
InChIInChI=1S/C11H17BrN4O2/c1-8-10(12)7-16(13-8)9(2)11(17)14-15-3-5-18-6-4-15/h7,9H,3-6H2,1-2H3,(H,14,17)
InChIKeyRJODOKPYVVEOBH-UHFFFAOYSA-N
MW317.19 g/mol
LogP0.88
Rot. Bonds3

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide (PubChem CID 19575310) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide
PubChem CID19575310
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide
SMILESCc1nn(C(C)C(=O)NN2CCOCC2)cc1Br
InChIInChI=1S/C11H17BrN4O2/c1-8-10(12)7-16(13-8)9(2)11(17)14-15-3-5-18-6-4-15/h7,9H,3-6H2,1-2H3,(H,14,17)
InChIKeyRJODOKPYVVEOBH-UHFFFAOYSA-N
XLogP0.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide 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

2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
CID 17020886
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide
CID 45125859
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide
CID 19533467
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 19533298
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]propanamide
CID 19322853
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 19533348
N-morpholin-4-yl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280048
2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 61174849
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19533439
(2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride
CID 57484828
diethyl 5-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19533334
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19404297

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide (CID 19575310) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide is Cc1nn(C(C)C(=O)NN2CCOCC2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide?
The InChIKey is RJODOKPYVVEOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-8-10(12)7-16(13-8)9(2)11(17)14-15-3-5-18-6-4-15/h7,9H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide has a molecular weight of 317.19 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide is sourced from PubChem (CID 19575310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).