N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide

C22H23BrN4O — CID 20854859

IUPACN-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CCNCC2)ccc1Br
InChIInChI=1S/C22H23BrN4O/c1-15-13-17(7-8-20(15)23)26-22(28)19-14-25-27(18-5-3-2-4-6-18)21(19)16-9-11-24-12-10-16/h2-8,13-14,16,24H,9-12H2,1H3,(H,26,28)
InChIKeyKZCIPAWRFJTDTK-UHFFFAOYSA-N
MW439.36 g/mol
LogP4.66
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide

N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20854859) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20854859
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC NameN-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CCNCC2)ccc1Br
InChIInChI=1S/C22H23BrN4O/c1-15-13-17(7-8-20(15)23)26-22(28)19-14-25-27(18-5-3-2-4-6-18)21(19)16-9-11-24-12-10-16/h2-8,13-14,16,24H,9-12H2,1H3,(H,26,28)
InChIKeyKZCIPAWRFJTDTK-UHFFFAOYSA-N
XLogP4.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953788
1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053191
1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867343
N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053304
1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953866
N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059794
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
N-(4-chlorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053171
N-(4-bromo-2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051699
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
N-(4-bromophenyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924035
N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953791

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20854859) is N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CCNCC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is KZCIPAWRFJTDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c1-15-13-17(7-8-20(15)23)26-22(28)19-14-25-27(18-5-3-2-4-6-18)21(19)16-9-11-24-12-10-16/h2-8,13-14,16,24H,9-12H2,1H3,(H,26,28).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 439.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20854859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).