N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride

C15H17BrCl2N4O — CID 119313062

IUPACN-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)C1CCCNC1
InChIInChI=1S/C15H16BrClN4O.ClH/c16-10-3-4-12(17)11(6-10)13-7-14(21-20-13)19-15(22)9-2-1-5-18-8-9;/h3-4,6-7,9,18H,1-2,5,8H2,(H2,19,20,21,22);1H
InChIKeyXMVKPKBUWODLCH-UHFFFAOYSA-N
MW420.14 g/mol
LogP3.85
Rot. Bonds3

About N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride

N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119313062) has the molecular formula C15H17BrCl2N4O and a molecular weight of 420.14 g/mol. Its IUPAC name is N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119313062
Molecular FormulaC15H17BrCl2N4O
Molecular Weight420.14 g/mol
Exact Mass418.00
IUPAC NameN-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)C1CCCNC1
InChIInChI=1S/C15H16BrClN4O.ClH/c16-10-3-4-12(17)11(6-10)13-7-14(21-20-13)19-15(22)9-2-1-5-18-8-9;/h3-4,6-7,9,18H,1-2,5,8H2,(H2,19,20,21,22);1H
InChIKeyXMVKPKBUWODLCH-UHFFFAOYSA-N
XLogP3.85
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.14
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119313054
(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 52517109
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119765390
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 119329603
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
(3R)-N-(5-bromopyrazin-2-yl)piperidine-3-carboxamide
CID 81134417
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287
(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride (CID 119313062) is N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)C1CCCNC1.
What is the InChIKey of N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is XMVKPKBUWODLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4O.ClH/c16-10-3-4-12(17)11(6-10)13-7-14(21-20-13)19-15(22)9-2-1-5-18-8-9;/h3-4,6-7,9,18H,1-2,5,8H2,(H2,19,20,21,22);1H.
What are the key properties of N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 420.14 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119313062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).