N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide

C34H33N3O2 — CID 42662450

IUPACN-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n(-c3cc(C)ccc3C)n2)c1
InChIInChI=1S/C34H33N3O2/c1-25-17-18-26(2)32(21-25)37-33(23-31(35-37)29-15-10-16-30(22-29)39-3)34(38)36(24-28-13-8-5-9-14-28)20-19-27-11-6-4-7-12-27/h4-18,21-23H,19-20,24H2,1-3H3
InChIKeyRHTNAUHCCHPKBR-UHFFFAOYSA-N
MW515.66 g/mol
LogP7.05
Rot. Bonds9

About N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide

N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (PubChem CID 42662450) has the molecular formula C34H33N3O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
PubChem CID42662450
Molecular FormulaC34H33N3O2
Molecular Weight515.66 g/mol
Exact Mass515.26
IUPAC NameN-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n(-c3cc(C)ccc3C)n2)c1
InChIInChI=1S/C34H33N3O2/c1-25-17-18-26(2)32(21-25)37-33(23-31(35-37)29-15-10-16-30(22-29)39-3)34(38)36(24-28-13-8-5-9-14-28)20-19-27-11-6-4-7-12-27/h4-18,21-23H,19-20,24H2,1-3H3
InChIKeyRHTNAUHCCHPKBR-UHFFFAOYSA-N
XLogP7.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide 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-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42758246
N-benzyl-1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662448
N-benzyl-3-(3-methoxyphenyl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4031267
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660639
N-benzyl-3-(2,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
CID 3879204
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
N-(2-cyanoethyl)-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755412
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3577494
1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 42755570
N-benzyl-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3885248
N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079657
N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3371409

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (CID 42662450) is N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n(-c3cc(C)ccc3C)n2)c1.
What is the InChIKey of N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is RHTNAUHCCHPKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O2/c1-25-17-18-26(2)32(21-25)37-33(23-31(35-37)29-15-10-16-30(22-29)39-3)34(38)36(24-28-13-8-5-9-14-28)20-19-27-11-6-4-7-12-27/h4-18,21-23H,19-20,24H2,1-3H3.
What are the key properties of N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 7.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42662450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).