2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide

C23H27N3O4 — CID 71448491

IUPAC2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccccc1CNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C23H27N3O4/c1-23(2,22(27)24-13-17-8-6-7-9-19(17)28-3)26-15-18(14-25-26)16-10-11-20(29-4)21(12-16)30-5/h6-12,14-15H,13H2,1-5H3,(H,24,27)
InChIKeyORARXLMWMLOCRJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.63
Rot. Bonds8

About 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide

2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide (PubChem CID 71448491) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide
PubChem CID71448491
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccccc1CNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C23H27N3O4/c1-23(2,22(27)24-13-17-8-6-7-9-19(17)28-3)26-15-18(14-25-26)16-10-11-20(29-4)21(12-16)30-5/h6-12,14-15H,13H2,1-5H3,(H,24,27)
InChIKeyORARXLMWMLOCRJ-UHFFFAOYSA-N
XLogP3.63
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methyl-2-[4-(2-methylphenyl)pyrazol-1-yl]propanamide
CID 71447785
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 71728692
N-[(2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62834293
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16879298
2-amino-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54925372
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
2-[4-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]-2-methylpropanamide
CID 71729638
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 3610947
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593
N-(3,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962989
N-(5-chloro-2-methoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962957
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide (CID 71448491) is 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide is COc1ccccc1CNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is ORARXLMWMLOCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-23(2,22(27)24-13-17-8-6-7-9-19(17)28-3)26-15-18(14-25-26)16-10-11-20(29-4)21(12-16)30-5/h6-12,14-15H,13H2,1-5H3,(H,24,27).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide?
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 409.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 71448491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).