N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C23H26N4O2 — CID 20953848

IUPACN-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCNCC2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-3-7-19(8-4-16)27-22(17-11-13-24-14-12-17)21(15-25-27)23(28)26-18-5-9-20(29-2)10-6-18/h3-10,15,17,24H,11-14H2,1-2H3,(H,26,28)
InChIKeyARVDHJXPIUWQRW-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.91
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20953848) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20953848
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCNCC2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-3-7-19(8-4-16)27-22(17-11-13-24-14-12-17)21(15-25-27)23(28)26-18-5-9-20(29-2)10-6-18/h3-10,15,17,24H,11-14H2,1-2H3,(H,26,28)
InChIKeyARVDHJXPIUWQRW-UHFFFAOYSA-N
XLogP3.91
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059758
1-(3-chloro-4-methylphenyl)-N-(3,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051847
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923939
N-(4-acetylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953788
N-(4-bromophenyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924035
N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059794
N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918586
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924020
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-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20953848) is N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCNCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is ARVDHJXPIUWQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-3-7-19(8-4-16)27-22(17-11-13-24-14-12-17)21(15-25-27)23(28)26-18-5-9-20(29-2)10-6-18/h3-10,15,17,24H,11-14H2,1-2H3,(H,26,28).
What are the key properties of N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20953848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).