1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

C24H28N4O3 — CID 11825950

IUPAC1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2OC)cc1
InChIInChI=1S/C24H28N4O3/c1-17-22(24(29)26-27-15-7-4-8-16-27)25-28(20-9-5-6-10-21(20)31-3)23(17)18-11-13-19(30-2)14-12-18/h5-6,9-14H,4,7-8,15-16H2,1-3H3,(H,26,29)
InChIKeyPPRQKLCYUXVQBI-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.00
Rot. Bonds6

About 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 11825950) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID11825950
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2OC)cc1
InChIInChI=1S/C24H28N4O3/c1-17-22(24(29)26-27-15-7-4-8-16-27)25-28(20-9-5-6-10-21(20)31-3)23(17)18-11-13-19(30-2)14-12-18/h5-6,9-14H,4,7-8,15-16H2,1-3H3,(H,26,29)
InChIKeyPPRQKLCYUXVQBI-UHFFFAOYSA-N
XLogP4.00
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 11825950) is 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2OC)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is PPRQKLCYUXVQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-22(24(29)26-27-15-7-4-8-16-27)25-28(20-9-5-6-10-21(20)31-3)23(17)18-11-13-19(30-2)14-12-18/h5-6,9-14H,4,7-8,15-16H2,1-3H3,(H,26,29).
What are the key properties of 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 11825950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).