1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide

C24H28N4OS — CID 55873188

About 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 55873188) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide
• PubChem CID: 55873188
• Molecular Formula: C24H28N4OS
• Molecular Weight: 420.58 g/mol
• Exact Mass: 420.20
• IUPAC Name: 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide
• SMILES: CC(C)(C)n1nc(C(=O)Nc2ccccc2N2CCc3sccc3C2)cc1C1CC1
• InChI: InChI=1S/C24H28N4OS/c1-24(2,3)28-21(16-8-9-16)14-19(26-28)23(29)25-18-6-4-5-7-20(18)27-12-10-22-17(15-27)11-13-30-22/h4-7,11,13-14,16H,8-10,12,15H2,1-3H3,(H,25,29)
• InChIKey: DEMNKNIRAQYZFK-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.58
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide?

The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide (CID 55873188) is 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)Nc2ccccc2N2CCc3sccc3C2)cc1C1CC1.

What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide?

The InChIKey is DEMNKNIRAQYZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-24(2,3)28-21(16-8-9-16)14-19(26-28)23(29)25-18-6-4-5-7-20(18)27-12-10-22-17(15-27)11-13-30-22/h4-7,11,13-14,16H,8-10,12,15H2,1-3H3,(H,25,29).

What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide?

1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55873188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).