3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide

C18H19N5O3S — CID 121030397

About 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide

3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 121030397) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
• PubChem CID: 121030397
• Molecular Formula: C18H19N5O3S
• Molecular Weight: 385.45 g/mol
• Exact Mass: 385.12
• IUPAC Name: 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
• SMILES: COc1ccc(-n2nc3c(c2NC(=O)c2cn(C)nc2OC)CSC3)cc1
• InChI: InChI=1S/C18H19N5O3S/c1-22-8-13(18(21-22)26-3)17(24)19-16-14-9-27-10-15(14)20-23(16)11-4-6-12(25-2)7-5-11/h4-8H,9-10H2,1-3H3,(H,19,24)
• InChIKey: MGAGBLNPADYZQA-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 83.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.45
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?

The IUPAC name of 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide (CID 121030397) is 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?

The canonical SMILES for 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide is COc1ccc(-n2nc3c(c2NC(=O)c2cn(C)nc2OC)CSC3)cc1.

What is the InChIKey of 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?

The InChIKey is MGAGBLNPADYZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-22-8-13(18(21-22)26-3)17(24)19-16-14-9-27-10-15(14)20-23(16)11-4-6-12(25-2)7-5-11/h4-8H,9-10H2,1-3H3,(H,19,24).

What are the key properties of 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?

3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121030397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).