2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide

C23H25N3O5 — CID 71447795

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCCO4)cn2)cc(OC)c1
InChIInChI=1S/C23H25N3O5/c1-23(2,22(27)25-17-10-18(28-3)12-19(11-17)29-4)26-14-16(13-24-26)15-5-6-20-21(9-15)31-8-7-30-20/h5-6,9-14H,7-8H2,1-4H3,(H,25,27)
InChIKeyWKYRLNZHVOXGGS-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.71
Rot. Bonds6

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 71447795) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
PubChem CID71447795
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCCO4)cn2)cc(OC)c1
InChIInChI=1S/C23H25N3O5/c1-23(2,22(27)25-17-10-18(28-3)12-19(11-17)29-4)26-14-16(13-24-26)15-5-6-20-21(9-15)31-8-7-30-20/h5-6,9-14H,7-8H2,1-4H3,(H,25,27)
InChIKeyWKYRLNZHVOXGGS-UHFFFAOYSA-N
XLogP3.71
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-methyl-2-(4-pyridin-2-ylpyrazol-1-yl)propanamide
CID 71447691
N-[(2-bromophenyl)methyl]-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-2-methylpropanamide
CID 71448524
N-[(3-chlorophenyl)methyl]-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-2-methylpropanamide
CID 71448531
2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696273
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417
3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 2764507
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 6619638
N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 71448790
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
CID 113216857
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 24650732
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119669219

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide (CID 71447795) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide is COc1cc(NC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCCO4)cn2)cc(OC)c1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is WKYRLNZHVOXGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-23(2,22(27)25-17-10-18(28-3)12-19(11-17)29-4)26-14-16(13-24-26)15-5-6-20-21(9-15)31-8-7-30-20/h5-6,9-14H,7-8H2,1-4H3,(H,25,27).
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide?
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 423.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-1-yl]-N-(3,5-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 71447795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).