(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone

C11H16BrN3O — CID 80659902

IUPAC(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCCC(Br)C2)cnn1C
InChIInChI=1S/C11H16BrN3O/c1-8-10(6-13-14(8)2)11(16)15-5-3-4-9(12)7-15/h6,9H,3-5,7H2,1-2H3
InChIKeyQDODZXKWDGVZBZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.73
Rot. Bonds1

About (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone

(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 80659902) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID80659902
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCCC(Br)C2)cnn1C
InChIInChI=1S/C11H16BrN3O/c1-8-10(6-13-14(8)2)11(16)15-5-3-4-9(12)7-15/h6,9H,3-5,7H2,1-2H3
InChIKeyQDODZXKWDGVZBZ-UHFFFAOYSA-N
XLogP1.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-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

[3-(2-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 63767651
3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81042606
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
[4-[1-(1,5-dimethylpyrazole-4-carbonyl)azepan-4-yl]piperidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 138049108
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 110216628
(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207907
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 97071724
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
(1,5-dimethylpyrazol-4-yl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 114506616
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 92595156

Frequently Asked Questions

What is the IUPAC name of (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone (CID 80659902) is (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCCC(Br)C2)cnn1C.
What is the InChIKey of (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is QDODZXKWDGVZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8-10(6-13-14(8)2)11(16)15-5-3-4-9(12)7-15/h6,9H,3-5,7H2,1-2H3.
What are the key properties of (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone?
(3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 286.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromopiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 80659902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).