N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

C21H21N3O5 — CID 46105329

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)n(C)n2)c(OC)c1
InChIInChI=1S/C21H21N3O5/c1-24-17(12-16(23-24)15-6-5-14(26-2)11-19(15)27-3)21(25)22-13-4-7-18-20(10-13)29-9-8-28-18/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)
InChIKeyGAWHNDKKXCOSDJ-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.13
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 46105329) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID46105329
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)n(C)n2)c(OC)c1
InChIInChI=1S/C21H21N3O5/c1-24-17(12-16(23-24)15-6-5-14(26-2)11-19(15)27-3)21(25)22-13-4-7-18-20(10-13)29-9-8-28-18/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)
InChIKeyGAWHNDKKXCOSDJ-UHFFFAOYSA-N
XLogP3.13
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide
CID 42879228
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CID 42879342
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5219831
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
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CID 109143680
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CID 732712
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255
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CID 24560978
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide
CID 71796477
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-4-[(4-methoxyphenyl)diazenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 46105329) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)n(C)n2)c(OC)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is GAWHNDKKXCOSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-24-17(12-16(23-24)15-6-5-14(26-2)11-19(15)27-3)21(25)22-13-4-7-18-20(10-13)29-9-8-28-18/h4-7,10-12H,8-9H2,1-3H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 46105329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).