(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C17H21BrN4O — CID 119398900

IUPAC(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1
InChIInChI=1S/C17H21BrN4O/c1-19-10-12-6-5-9-22(11-12)17(23)16-14(18)15(20-21-16)13-7-3-2-4-8-13/h2-4,7-8,12,19H,5-6,9-11H2,1H3,(H,20,21)
InChIKeyLFUYGCDNEQGUMU-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.91
Rot. Bonds4

About (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119398900) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119398900
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1
InChIInChI=1S/C17H21BrN4O/c1-19-10-12-6-5-9-22(11-12)17(23)16-14(18)15(20-21-16)13-7-3-2-4-8-13/h2-4,7-8,12,19H,5-6,9-11H2,1H3,(H,20,21)
InChIKeyLFUYGCDNEQGUMU-UHFFFAOYSA-N
XLogP2.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-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-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493767
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119652153
(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride
CID 119376856
[3-(methylaminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119395429
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 124684688
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 119399002
1-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118485
(2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124610763
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119399001
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61206369

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119398900) is (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1.
What is the InChIKey of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is LFUYGCDNEQGUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-19-10-12-6-5-9-22(11-12)17(23)16-14(18)15(20-21-16)13-7-3-2-4-8-13/h2-4,7-8,12,19H,5-6,9-11H2,1H3,(H,20,21).
What are the key properties of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 377.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119398900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).