(4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C12H18BrN3O2 — CID 51389776

IUPAC(4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1c(Br)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nn1C
InChIInChI=1S/C12H18BrN3O2/c1-7-5-16(6-8(2)18-7)12(17)11-10(13)9(3)15(4)14-11/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyBLFMTPCYGVTRGM-YUMQZZPRSA-N
MW316.20 g/mol
LogP1.74
Rot. Bonds1

About (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

(4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 51389776) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID51389776
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name(4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1c(Br)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nn1C
InChIInChI=1S/C12H18BrN3O2/c1-7-5-16(6-8(2)18-7)12(17)11-10(13)9(3)15(4)14-11/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyBLFMTPCYGVTRGM-YUMQZZPRSA-N
XLogP1.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone 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

(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 11837908
(2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone
CID 17020381
(4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone
CID 844781
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 4107349
[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 35327210
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 39891621
1-(4-bromo-1,5-dimethylpyrazol-3-yl)prop-2-en-1-one
CID 155123854
(4-bromo-1,5-dimethylpyrazol-3-yl)-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19575814

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 51389776) is (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is Cc1c(Br)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nn1C.
What is the InChIKey of (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is BLFMTPCYGVTRGM-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-7-5-16(6-8(2)18-7)12(17)11-10(13)9(3)15(4)14-11/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 316.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 51389776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).