1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide

C30H24ClN5O2S — CID 17039137

About 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 17039137) has the molecular formula C30H24ClN5O2S and a molecular weight of 554.08 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide
• PubChem CID: 17039137
• Molecular Formula: C30H24ClN5O2S
• Molecular Weight: 554.08 g/mol
• Exact Mass: 553.13
• IUPAC Name: 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide
• SMILES: COc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccc4)n(-c4nc(-c5ccc(Cl)cc5)cs4)n3)c2c1
• InChI: InChI=1S/C30H24ClN5O2S/c1-38-23-11-12-25-24(15-23)21(17-33-25)13-14-32-29(37)26-16-28(20-5-3-2-4-6-20)36(35-26)30-34-27(18-39-30)19-7-9-22(31)10-8-19/h2-12,15-18,33H,13-14H2,1H3,(H,32,37)
• InChIKey: DCZDDHCKKHMNNT-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 84.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.08
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide?

The IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide (CID 17039137) is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide.

What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide?

The canonical SMILES for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide is COc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccc4)n(-c4nc(-c5ccc(Cl)cc5)cs4)n3)c2c1.

What is the InChIKey of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide?

The InChIKey is DCZDDHCKKHMNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN5O2S/c1-38-23-11-12-25-24(15-23)21(17-33-25)13-14-32-29(37)26-16-28(20-5-3-2-4-6-20)36(35-26)30-34-27(18-39-30)19-7-9-22(31)10-8-19/h2-12,15-18,33H,13-14H2,1H3,(H,32,37).

What are the key properties of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide?

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide has a molecular weight of 554.08 g/mol, XLogP of 6.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 17039137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).