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

C24H29ClN4O — CID 146053168

IUPACN-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CCNCC2)cc1.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-3-18-7-9-20(10-8-18)27-24(29)22-16-26-28(21-6-4-5-17(2)15-21)23(22)19-11-13-25-14-12-19;/h4-10,15-16,19,25H,3,11-14H2,1-2H3,(H,27,29);1H
InChIKeyIBPWMOWWHORXJV-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.88
Rot. Bonds5

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

N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146053168) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146053168
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC NameN-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CCNCC2)cc1.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-3-18-7-9-20(10-8-18)27-24(29)22-16-26-28(21-6-4-5-17(2)15-21)23(22)19-11-13-25-14-12-19;/h4-10,15-16,19,25H,3,11-14H2,1-2H3,(H,27,29);1H
InChIKeyIBPWMOWWHORXJV-UHFFFAOYSA-N
XLogP4.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059794
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-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053274
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-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 46280231
N-(4-acetylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953788
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-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051701

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146053168) is N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is CCc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CCNCC2)cc1.Cl.
What is the InChIKey of N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is IBPWMOWWHORXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O.ClH/c1-3-18-7-9-20(10-8-18)27-24(29)22-16-26-28(21-6-4-5-17(2)15-21)23(22)19-11-13-25-14-12-19;/h4-10,15-16,19,25H,3,11-14H2,1-2H3,(H,27,29);1H.
What are the key properties of N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 424.98 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146053168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).