N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide

C30H33N3O4 — CID 42660639

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)n(-c3cc(C)ccc3C)n2)c1
InChIInChI=1S/C30H33N3O4/c1-20-10-11-21(2)26(16-20)33-27(19-25(31-33)23-8-7-9-24(18-23)35-4)30(34)32(3)15-14-22-12-13-28(36-5)29(17-22)37-6/h7-13,16-19H,14-15H2,1-6H3
InChIKeyQQIKQAAVULCNHX-UHFFFAOYSA-N
MW499.61 g/mol
LogP5.50
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide (PubChem CID 42660639) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide
PubChem CID42660639
Molecular FormulaC30H33N3O4
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)n(-c3cc(C)ccc3C)n2)c1
InChIInChI=1S/C30H33N3O4/c1-20-10-11-21(2)26(16-20)33-27(19-25(31-33)23-8-7-9-24(18-23)35-4)30(34)32(3)15-14-22-12-13-28(36-5)29(17-22)37-6/h7-13,16-19H,14-15H2,1-6H3
InChIKeyQQIKQAAVULCNHX-UHFFFAOYSA-N
XLogP5.50
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-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-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3577494
N-benzyl-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662450
1-(2,5-dimethylphenyl)-N-ethoxy-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 42755570
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide
CID 3902581
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660597
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4603663
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3586442
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrazole-5-carboxamide
CID 3506575
1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 5203840
N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42758246
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053783
N-benzyl-3-(2,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
CID 3879204

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide (CID 42660639) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)n(-c3cc(C)ccc3C)n2)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide?
The InChIKey is QQIKQAAVULCNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-20-10-11-21(2)26(16-20)33-27(19-25(31-33)23-8-7-9-24(18-23)35-4)30(34)32(3)15-14-22-12-13-28(36-5)29(17-22)37-6/h7-13,16-19H,14-15H2,1-6H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide has a molecular weight of 499.61 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 42660639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).