3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C19H15Cl2N3OS — CID 121030584

About 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 121030584) has the molecular formula C19H15Cl2N3OS and a molecular weight of 404.32 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
• PubChem CID: 121030584
• Molecular Formula: C19H15Cl2N3OS
• Molecular Weight: 404.32 g/mol
• Exact Mass: 403.03
• IUPAC Name: 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
• SMILES: Cc1ccccc1-n1nc2c(c1NC(=O)c1cc(Cl)cc(Cl)c1)CSC2
• InChI: InChI=1S/C19H15Cl2N3OS/c1-11-4-2-3-5-17(11)24-18(15-9-26-10-16(15)23-24)22-19(25)12-6-13(20)8-14(21)7-12/h2-8H,9-10H2,1H3,(H,22,25)
• InChIKey: QUAGDQMYMMLXBG-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.32
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

The IUPAC name of 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 121030584) is 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

What is the SMILES notation for 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

The canonical SMILES for 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is Cc1ccccc1-n1nc2c(c1NC(=O)c1cc(Cl)cc(Cl)c1)CSC2.

What is the InChIKey of 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

The InChIKey is QUAGDQMYMMLXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3OS/c1-11-4-2-3-5-17(11)24-18(15-9-26-10-16(15)23-24)22-19(25)12-6-13(20)8-14(21)7-12/h2-8H,9-10H2,1H3,(H,22,25).

What are the key properties of 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 404.32 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 121030584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).