(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone

C15H24BrN3O — CID 114669166

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)C1(CCC)CCNCC1
InChIInChI=1S/C15H24BrN3O/c1-3-5-15(6-8-17-9-7-15)14(20)13-12(16)11-18-19(13)10-4-2/h11,17H,3-10H2,1-2H3
InChIKeyJKVPUFUYJFJZFL-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.41
Rot. Bonds6

About (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone (PubChem CID 114669166) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone
PubChem CID114669166
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)C1(CCC)CCNCC1
InChIInChI=1S/C15H24BrN3O/c1-3-5-15(6-8-17-9-7-15)14(20)13-12(16)11-18-19(13)10-4-2/h11,17H,3-10H2,1-2H3
InChIKeyJKVPUFUYJFJZFL-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-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

(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669191
(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669204
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669209
(3-ethylpyrrolidin-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114669216
(1-methylpyrazol-3-yl)-(4-propylpiperidin-4-yl)methanone
CID 103133140
(1-propylimidazol-2-yl)-(4-propylpiperidin-4-yl)methanone
CID 116569222
1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
CID 114641322
(E)-1-(4-bromo-1-propylpyrazol-5-yl)but-2-en-1-one
CID 103453393
1-(4-bromo-1-propylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455565
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543836
1-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-one
CID 114642443

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone (CID 114669166) is (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone is CCCn1ncc(Br)c1C(=O)C1(CCC)CCNCC1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone?
The InChIKey is JKVPUFUYJFJZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-3-5-15(6-8-17-9-7-15)14(20)13-12(16)11-18-19(13)10-4-2/h11,17H,3-10H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone has a molecular weight of 342.28 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 114669166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).