N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C21H21BrClN5O — CID 38968449

IUPACN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H21BrClN5O/c22-17-3-1-15(2-4-17)14-28-20(7-10-25-28)26-21(29)16-8-11-27(12-9-16)19-6-5-18(23)13-24-19/h1-7,10,13,16H,8-9,11-12,14H2,(H,26,29)
InChIKeyGLRYSWJTNVISKC-UHFFFAOYSA-N
MW474.79 g/mol
LogP4.60
Rot. Bonds5

About N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 38968449) has the molecular formula C21H21BrClN5O and a molecular weight of 474.79 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID38968449
Molecular FormulaC21H21BrClN5O
Molecular Weight474.79 g/mol
Exact Mass473.06
IUPAC NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H21BrClN5O/c22-17-3-1-15(2-4-17)14-28-20(7-10-25-28)26-21(29)16-8-11-27(12-9-16)19-6-5-18(23)13-24-19/h1-7,10,13,16H,8-9,11-12,14H2,(H,26,29)
InChIKeyGLRYSWJTNVISKC-UHFFFAOYSA-N
XLogP4.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.79
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687718
cis-(1R,2S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylcyclopropane-1-carboxamide
CID 40972650
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
CID 126781633
N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 30037554
N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60581329
1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 112807608
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-chloropyridine-4-carboxamide
CID 32696325
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 38968449) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is GLRYSWJTNVISKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrClN5O/c22-17-3-1-15(2-4-17)14-28-20(7-10-25-28)26-21(29)16-8-11-27(12-9-16)19-6-5-18(23)13-24-19/h1-7,10,13,16H,8-9,11-12,14H2,(H,26,29).
What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 474.79 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 38968449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).