diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium

C19H25N4OS+ — CID 9315070

About diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium

diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium (PubChem CID 9315070) has the molecular formula C19H25N4OS+ and a molecular weight of 357.50 g/mol. Its IUPAC name is diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium.

Molecular Properties

• Compound Name: diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium
• PubChem CID: 9315070
• Molecular Formula: C19H25N4OS+
• Molecular Weight: 357.50 g/mol
• Exact Mass: 357.17
• IUPAC Name: diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium
• SMILES: CC[NH+](CC)CCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
• InChI: InChI=1S/C19H24N4OS/c1-4-22(5-2)12-11-20-18(24)17-13-16-14(3)21-23(19(16)25-17)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,24)/p+1
• InChIKey: ZTDMHPUUASVGLF-UHFFFAOYSA-O
• XLogP: 2.05
• TPSA: 51.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.50
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium?

The IUPAC name of diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium (CID 9315070) is diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium.

What is the SMILES notation for diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium?

The canonical SMILES for diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium is CC[NH+](CC)CCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1.

What is the InChIKey of diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium?

The InChIKey is ZTDMHPUUASVGLF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N4OS/c1-4-22(5-2)12-11-20-18(24)17-13-16-14(3)21-23(19(16)25-17)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,24)/p+1.

What are the key properties of diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium?

diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium has a molecular weight of 357.50 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium is sourced from PubChem (CID 9315070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).