1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide

C20H17ClN4OS — CID 35036040

About 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide

1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 35036040) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
• PubChem CID: 35036040
• Molecular Formula: C20H17ClN4OS
• Molecular Weight: 396.90 g/mol
• Exact Mass: 396.08
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
• SMILES: Cc1cccc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)n1
• InChI: InChI=1S/C20H17ClN4OS/c1-12-4-3-5-18(22-12)23-19(26)17-10-16-13(2)24-25(20(16)27-17)11-14-6-8-15(21)9-7-14/h3-10H,11H2,1-2H3,(H,22,23,26)
• InChIKey: GSBOYGAXHFUEQD-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.90
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide?

The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 35036040) is 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide.

What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide?

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1cccc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)n1.

What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide?

The InChIKey is GSBOYGAXHFUEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c1-12-4-3-5-18(22-12)23-19(26)17-10-16-13(2)24-25(20(16)27-17)11-14-6-8-15(21)9-7-14/h3-10H,11H2,1-2H3,(H,22,23,26).

What are the key properties of 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide?

1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-3-methyl-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 35036040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).