1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C18H22Cl2N4OS — CID 120831470

About 1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 120831470) has the molecular formula C18H22Cl2N4OS and a molecular weight of 413.37 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
• PubChem CID: 120831470
• Molecular Formula: C18H22Cl2N4OS
• Molecular Weight: 413.37 g/mol
• Exact Mass: 412.09
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
• SMILES: CNC(C)CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1.Cl
• InChI: InChI=1S/C18H21ClN4OS.ClH/c1-11(20-3)9-21-17(24)16-8-15-12(2)22-23(18(15)25-16)10-13-4-6-14(19)7-5-13;/h4-8,11,20H,9-10H2,1-3H3,(H,21,24);1H
• InChIKey: DBRXGHLECNTAQY-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.37
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 120831470) is 1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

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

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1.Cl.

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

The InChIKey is DBRXGHLECNTAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4OS.ClH/c1-11(20-3)9-21-17(24)16-8-15-12(2)22-23(18(15)25-16)10-13-4-6-14(19)7-5-13;/h4-8,11,20H,9-10H2,1-3H3,(H,21,24);1H.

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

1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 413.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120831470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).