N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

C24H29ClN4O — CID 146051701

IUPACN-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1ccccc1NC(=O)c1cnn(-c2ccc(C)cc2)c1C1CCNCC1.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-3-18-6-4-5-7-22(18)27-24(29)21-16-26-28(20-10-8-17(2)9-11-20)23(21)19-12-14-25-15-13-19;/h4-11,16,19,25H,3,12-15H2,1-2H3,(H,27,29);1H
InChIKeySDMJFICUIXHBMJ-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.88
Rot. Bonds5

About N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146051701) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146051701
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC NameN-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1ccccc1NC(=O)c1cnn(-c2ccc(C)cc2)c1C1CCNCC1.Cl
InChIInChI=1S/C24H28N4O.ClH/c1-3-18-6-4-5-7-22(18)27-24(29)21-16-26-28(20-10-8-17(2)9-11-20)23(21)19-12-14-25-15-13-19;/h4-11,16,19,25H,3,12-15H2,1-2H3,(H,27,29);1H
InChIKeySDMJFICUIXHBMJ-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-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059758
N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053304
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923939
1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923975
N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride
CID 53347568
N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953791
N-(2-ethoxyphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059792
N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20866625
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
N-(2-ethoxyphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953879
N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918586
N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953833

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146051701) is N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is CCc1ccccc1NC(=O)c1cnn(-c2ccc(C)cc2)c1C1CCNCC1.Cl.
What is the InChIKey of N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is SDMJFICUIXHBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O.ClH/c1-3-18-6-4-5-7-22(18)27-24(29)21-16-26-28(20-10-8-17(2)9-11-20)23(21)19-12-14-25-15-13-19;/h4-11,16,19,25H,3,12-15H2,1-2H3,(H,27,29);1H.
What are the key properties of N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
N-(2-ethylphenyl)-1-(4-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-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146051701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).