(2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide

C11H17BrN4O2 — CID 136581825

IUPAC(2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(Cc2c(Br)cnn2C)[C@@H]1C(N)=O
InChIInChI=1S/C11H17BrN4O2/c1-7-10(11(13)17)16(3-4-18-7)6-9-8(12)5-14-15(9)2/h5,7,10H,3-4,6H2,1-2H3,(H2,13,17)/t7-,10+/m1/s1
InChIKeyOHTFPYABUWOOKA-XCBNKYQSSA-N
MW317.19 g/mol
LogP0.26
Rot. Bonds3

About (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 136581825) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide
PubChem CID136581825
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name(2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(Cc2c(Br)cnn2C)[C@@H]1C(N)=O
InChIInChI=1S/C11H17BrN4O2/c1-7-10(11(13)17)16(3-4-18-7)6-9-8(12)5-14-15(9)2/h5,7,10H,3-4,6H2,1-2H3,(H2,13,17)/t7-,10+/m1/s1
InChIKeyOHTFPYABUWOOKA-XCBNKYQSSA-N
XLogP0.26
TPSA73.38 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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide 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

(4-Bromo-2-methylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 4391269
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-[2-(morpholin-4-yl)ethyl]propanamide
CID 4777134
2-(4-bromo-5-methyl-1H-pyrazol-1-yl)-1-(morpholin-4-yl)ethanone
CID 19575596
1,1,1,3,3,3-Hexafluoropropan-2-yl 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperazine-2-carboxylate
CID 89677814
4-[(4-bromo-3-methyl-1H-pyrazol-1-yl)acetyl]morpholine
CID 4770175
4-Bromo-3-methyl-N-[1-methyl-2-(4-morpholinyl)ethyl]-1H-pyrazole-1-acetamide
CID 4771339
4-bromo-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 19476649
(4-Bromo-1-methylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 19576343
(4-Bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone
CID 167438227
(4-bromo-1-methylpyrazol-5-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 1220624
(4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 1220625
(4-bromo-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 1220626

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide (CID 136581825) is (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN(Cc2c(Br)cnn2C)[C@@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is OHTFPYABUWOOKA-XCBNKYQSSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-7-10(11(13)17)16(3-4-18-7)6-9-8(12)5-14-15(9)2/h5,7,10H,3-4,6H2,1-2H3,(H2,13,17)/t7-,10+/m1/s1.
What are the key properties of (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 317.19 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 136581825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).