(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride

C15H18BrClN4O — CID 119376856

IUPAC(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1
InChIInChI=1S/C15H17BrN4O.ClH/c16-12-13(10-4-2-1-3-5-10)18-19-14(12)15(21)20-8-6-11(17)7-9-20;/h1-5,11H,6-9,17H2,(H,18,19);1H
InChIKeyKYLUNYSXXZWLNO-UHFFFAOYSA-N
MW385.69 g/mol
LogP2.82
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride (PubChem CID 119376856) has the molecular formula C15H18BrClN4O and a molecular weight of 385.69 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride
PubChem CID119376856
Molecular FormulaC15H18BrClN4O
Molecular Weight385.69 g/mol
Exact Mass384.04
IUPAC Name(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1
InChIInChI=1S/C15H17BrN4O.ClH/c16-12-13(10-4-2-1-3-5-10)18-19-14(12)15(21)20-8-6-11(17)7-9-20;/h1-5,11H,6-9,17H2,(H,18,19);1H
InChIKeyKYLUNYSXXZWLNO-UHFFFAOYSA-N
XLogP2.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398900
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
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473594
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119652153
4-bromo-3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid
CID 45496321
N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119612480
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 95092319
(4-methyl-3-phenyl-1H-pyrazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone
CID 166215037
4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 120557037
1-(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)piperidine-4-carboxamide
CID 108803582

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride (CID 119376856) is (4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride is Cl.NC1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride?
The InChIKey is KYLUNYSXXZWLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O.ClH/c16-12-13(10-4-2-1-3-5-10)18-19-14(12)15(21)20-8-6-11(17)7-9-20;/h1-5,11H,6-9,17H2,(H,18,19);1H.
What are the key properties of (4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride has a molecular weight of 385.69 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119376856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).