5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide

C19H19N3O4S — CID 25286392

About 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide

5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 25286392) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 25286392
• Molecular Formula: C19H19N3O4S
• Molecular Weight: 385.45 g/mol
• Exact Mass: 385.11
• IUPAC Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
• SMILES: Cc1ccsc1CN(C)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1
• InChI: InChI=1S/C19H19N3O4S/c1-12-5-6-27-18(12)9-22(2)19(23)15-7-13(20-21-15)10-24-14-3-4-16-17(8-14)26-11-25-16/h3-8H,9-11H2,1-2H3,(H,20,21)
• InChIKey: DMHQNKSQVMQGSF-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 76.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.45
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 25286392) is 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1ccsc1CN(C)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1.

What is the InChIKey of 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?

The InChIKey is DMHQNKSQVMQGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-5-6-27-18(12)9-22(2)19(23)15-7-13(20-21-15)10-24-14-3-4-16-17(8-14)26-11-25-16/h3-8H,9-11H2,1-2H3,(H,20,21).

What are the key properties of 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?

5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25286392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).