1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C24H28N4O2 — CID 20924243

IUPAC1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3c(C)cccc3C)c2C2CCNCC2)c1
InChIInChI=1S/C24H28N4O2/c1-16-6-4-7-17(2)22(16)28-23(18-10-12-25-13-11-18)21(15-26-28)24(29)27-19-8-5-9-20(14-19)30-3/h4-9,14-15,18,25H,10-13H2,1-3H3,(H,27,29)
InChIKeyNELAYLOUFNNAIW-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.22
Rot. Bonds5

About 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20924243) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20924243
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3c(C)cccc3C)c2C2CCNCC2)c1
InChIInChI=1S/C24H28N4O2/c1-16-6-4-7-17(2)22(16)28-23(18-10-12-25-13-11-18)21(15-26-28)24(29)27-19-8-5-9-20(14-19)30-3/h4-9,14-15,18,25H,10-13H2,1-3H3,(H,27,29)
InChIKeyNELAYLOUFNNAIW-UHFFFAOYSA-N
XLogP4.22
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953833
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166
N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953785
1-(3-chloro-4-methylphenyl)-N-(3,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051847
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053191
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053336
N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20866625
N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854859
1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953814
tert-butyl 4-[4-[(3-methoxyphenyl)carbamoyl]-1-(3-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281029
N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059794

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20924243) is 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is COc1cccc(NC(=O)c2cnn(-c3c(C)cccc3C)c2C2CCNCC2)c1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is NELAYLOUFNNAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-6-4-7-17(2)22(16)28-23(18-10-12-25-13-11-18)21(15-26-28)24(29)27-19-8-5-9-20(14-19)30-3/h4-9,14-15,18,25H,10-13H2,1-3H3,(H,27,29).
What are the key properties of 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20924243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).