5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

C19H13Cl2N5OS2 — CID 55922376

About 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 55922376) has the molecular formula C19H13Cl2N5OS2 and a molecular weight of 462.39 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
• PubChem CID: 55922376
• Molecular Formula: C19H13Cl2N5OS2
• Molecular Weight: 462.39 g/mol
• Exact Mass: 460.99
• IUPAC Name: 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
• SMILES: O=C(Nc1nnc(-c2ccsc2)s1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
• InChI: InChI=1S/C19H13Cl2N5OS2/c20-12-3-4-15(14(21)7-12)26-16(10-1-2-10)13(8-22-26)17(27)23-19-25-24-18(29-19)11-5-6-28-9-11/h3-10H,1-2H2,(H,23,25,27)
• InChIKey: LJAWIVNARYSCJK-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.39
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?

The IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (CID 55922376) is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?

The canonical SMILES for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1nnc(-c2ccsc2)s1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.

What is the InChIKey of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?

The InChIKey is LJAWIVNARYSCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5OS2/c20-12-3-4-15(14(21)7-12)26-16(10-1-2-10)13(8-22-26)17(27)23-19-25-24-18(29-19)11-5-6-28-9-11/h3-10H,1-2H2,(H,23,25,27).

What are the key properties of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?

5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 462.39 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 55922376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).