1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide

C20H16Cl2N4OS — CID 35031290

About 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide

1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 35031290) has the molecular formula C20H16Cl2N4OS and a molecular weight of 431.35 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
• PubChem CID: 35031290
• Molecular Formula: C20H16Cl2N4OS
• Molecular Weight: 431.35 g/mol
• Exact Mass: 430.04
• IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
• SMILES: Cc1cccnc1NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1
• InChI: InChI=1S/C20H16Cl2N4OS/c1-11-4-3-7-23-18(11)24-19(27)17-9-15-12(2)25-26(20(15)28-17)10-13-5-6-14(21)8-16(13)22/h3-9H,10H2,1-2H3,(H,23,24,27)
• InChIKey: NIIGEJDLVGLIPP-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.35
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide?

The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 35031290) is 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide.

What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide?

The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1cccnc1NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1.

What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide?

The InChIKey is NIIGEJDLVGLIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4OS/c1-11-4-3-7-23-18(11)24-19(27)17-9-15-12(2)25-26(20(15)28-17)10-13-5-6-14(21)8-16(13)22/h3-9H,10H2,1-2H3,(H,23,24,27).

What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide?

1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 431.35 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(3-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 35031290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).