N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide

C22H24N4O2 — CID 20866625

IUPACN-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C1CCNCC1
InChIInChI=1S/C22H24N4O2/c1-28-20-10-6-5-9-19(20)25-22(27)18-15-24-26(17-7-3-2-4-8-17)21(18)16-11-13-23-14-12-16/h2-10,15-16,23H,11-14H2,1H3,(H,25,27)
InChIKeyIZRHZUBUQFRWEU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.60
Rot. Bonds5

About N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide

N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20866625) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20866625
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C1CCNCC1
InChIInChI=1S/C22H24N4O2/c1-28-20-10-6-5-9-19(20)25-22(27)18-15-24-26(17-7-3-2-4-8-17)21(18)16-11-13-23-14-12-16/h2-10,15-16,23H,11-14H2,1H3,(H,25,27)
InChIKeyIZRHZUBUQFRWEU-UHFFFAOYSA-N
XLogP3.60
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20866625) is N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide is COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C1CCNCC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is IZRHZUBUQFRWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-20-10-6-5-9-19(20)25-22(27)18-15-24-26(17-7-3-2-4-8-17)21(18)16-11-13-23-14-12-16/h2-10,15-16,23H,11-14H2,1H3,(H,25,27).
What are the key properties of N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20866625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).