N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C23H26N4O2 — CID 20953833

IUPACN-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCNCC2)c1
InChIInChI=1S/C23H26N4O2/c1-16-6-8-19(9-7-16)27-22(17-10-12-24-13-11-17)21(15-25-27)23(28)26-18-4-3-5-20(14-18)29-2/h3-9,14-15,17,24H,10-13H2,1-2H3,(H,26,28)
InChIKeyWLMMWYFTWVXHOK-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.91
Rot. Bonds5

About N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20953833) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20953833
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCNCC2)c1
InChIInChI=1S/C23H26N4O2/c1-16-6-8-19(9-7-16)27-22(17-10-12-24-13-11-17)21(15-25-27)23(28)26-18-4-3-5-20(14-18)29-2/h3-9,14-15,17,24H,10-13H2,1-2H3,(H,26,28)
InChIKeyWLMMWYFTWVXHOK-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20953833) is N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is COc1cccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCNCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is WLMMWYFTWVXHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-6-8-19(9-7-16)27-22(17-10-12-24-13-11-17)21(15-25-27)23(28)26-18-4-3-5-20(14-18)29-2/h3-9,14-15,17,24H,10-13H2,1-2H3,(H,26,28).
What are the key properties of N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(3-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-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20953833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).