3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide

C26H26N4O2 — CID 67998342

IUPAC3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NCc3cccc(C)c3)cc2-c2cccnc2)cc1
InChIInChI=1S/C26H26N4O2/c1-19-5-3-6-20(15-19)17-28-26(31)13-8-22-16-25(21-7-4-14-27-18-21)30(29-22)23-9-11-24(32-2)12-10-23/h3-7,9-12,14-16,18H,8,13,17H2,1-2H3,(H,28,31)
InChIKeyREIMVGIMURVHRH-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.50
Rot. Bonds8

About 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide

3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 67998342) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide
PubChem CID67998342
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NCc3cccc(C)c3)cc2-c2cccnc2)cc1
InChIInChI=1S/C26H26N4O2/c1-19-5-3-6-20(15-19)17-28-26(31)13-8-22-16-25(21-7-4-14-27-18-21)30(29-22)23-9-11-24(32-2)12-10-23/h3-7,9-12,14-16,18H,8,13,17H2,1-2H3,(H,28,31)
InChIKeyREIMVGIMURVHRH-UHFFFAOYSA-N
XLogP4.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56602729
N-[(6-chloro-3-pyridinyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56603288
N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56603283
2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072774
N-[(2,3-difluorophenyl)methyl]-3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]propanamide
CID 67997432
3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide
CID 67997798
N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]propanamide
CID 123825300
N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
CID 56603107
N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(2-methylpropoxy)phenyl]pyrazol-3-yl]propanamide
CID 67997587
N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
CID 123902147
5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 17052447
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide (CID 67998342) is 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide is COc1ccc(-n2nc(CCC(=O)NCc3cccc(C)c3)cc2-c2cccnc2)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is REIMVGIMURVHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-19-5-3-6-20(15-19)17-28-26(31)13-8-22-16-25(21-7-4-14-27-18-21)30(29-22)23-9-11-24(32-2)12-10-23/h3-7,9-12,14-16,18H,8,13,17H2,1-2H3,(H,28,31).
What are the key properties of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide?
3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 426.52 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 67998342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).