N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

C24H28ClN5O2 — CID 146059794

IUPACN-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CCNCC2)cc1.Cl
InChIInChI=1S/C24H27N5O2.ClH/c1-16-4-3-5-21(14-16)29-23(18-10-12-25-13-11-18)22(15-26-29)24(31)28-20-8-6-19(7-9-20)27-17(2)30;/h3-9,14-15,18,25H,10-13H2,1-2H3,(H,27,30)(H,28,31);1H
InChIKeyLMYOEVGTQBETQF-UHFFFAOYSA-N
MW453.97 g/mol
LogP4.28
Rot. Bonds5

About N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146059794) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146059794
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC NameN-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CCNCC2)cc1.Cl
InChIInChI=1S/C24H27N5O2.ClH/c1-16-4-3-5-21(14-16)29-23(18-10-12-25-13-11-18)22(15-26-29)24(31)28-20-8-6-19(7-9-20)27-17(2)30;/h3-9,14-15,18,25H,10-13H2,1-2H3,(H,27,30)(H,28,31);1H
InChIKeyLMYOEVGTQBETQF-UHFFFAOYSA-N
XLogP4.28
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053191
N-(4-chlorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053171
N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053168
N-(4-acetylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953788
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
N-(2-ethoxyphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059792
N-(2-ethoxyphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953879
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854859
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953785
N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953833

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146059794) is N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is CC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CCNCC2)cc1.Cl.
What is the InChIKey of N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is LMYOEVGTQBETQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2.ClH/c1-16-4-3-5-21(14-16)29-23(18-10-12-25-13-11-18)22(15-26-29)24(31)28-20-8-6-19(7-9-20)27-17(2)30;/h3-9,14-15,18,25H,10-13H2,1-2H3,(H,27,30)(H,28,31);1H.
What are the key properties of N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 453.97 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146059794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).