N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride

C17H22BrClN4O — CID 119323739

IUPACN-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCCc1c(NC(=O)C2CCCNC2)n[nH]c1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H21BrN4O.ClH/c1-2-14-15(11-5-7-13(18)8-6-11)21-22-16(14)20-17(23)12-4-3-9-19-10-12;/h5-8,12,19H,2-4,9-10H2,1H3,(H2,20,21,22,23);1H
InChIKeyRBJFNFLLQWNKFH-UHFFFAOYSA-N
MW413.75 g/mol
LogP3.76
Rot. Bonds4

About N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride

N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119323739) has the molecular formula C17H22BrClN4O and a molecular weight of 413.75 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119323739
Molecular FormulaC17H22BrClN4O
Molecular Weight413.75 g/mol
Exact Mass412.07
IUPAC NameN-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCCc1c(NC(=O)C2CCCNC2)n[nH]c1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H21BrN4O.ClH/c1-2-14-15(11-5-7-13(18)8-6-11)21-22-16(14)20-17(23)12-4-3-9-19-10-12;/h5-8,12,19H,2-4,9-10H2,1H3,(H2,20,21,22,23);1H
InChIKeyRBJFNFLLQWNKFH-UHFFFAOYSA-N
XLogP3.76
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.75
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride 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

(3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 104618674
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 119315545
4-amino-N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]pentanamide
CID 120562650
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 169208592
(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
CID 28992192
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119317255
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
CID 167761264
N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119313062
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
CID 119317256

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride (CID 119323739) is N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride is CCc1c(NC(=O)C2CCCNC2)n[nH]c1-c1ccc(Br)cc1.Cl.
What is the InChIKey of N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is RBJFNFLLQWNKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O.ClH/c1-2-14-15(11-5-7-13(18)8-6-11)21-22-16(14)20-17(23)12-4-3-9-19-10-12;/h5-8,12,19H,2-4,9-10H2,1H3,(H2,20,21,22,23);1H.
What are the key properties of N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 413.75 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119323739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).