5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide

C18H19N5OS — CID 146126484

About 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide

5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 146126484) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide
• PubChem CID: 146126484
• Molecular Formula: C18H19N5OS
• Molecular Weight: 353.45 g/mol
• Exact Mass: 353.13
• IUPAC Name: 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide
• SMILES: Cn1nc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1C1CC1
• InChI: InChI=1S/C18H19N5OS/c1-23-16(12-5-6-12)10-14(22-23)18(24)20-9-7-17-21-15(11-25-17)13-4-2-3-8-19-13/h2-4,8,10-12H,5-7,9H2,1H3,(H,20,24)
• InChIKey: ADMOHMVYKNYRSJ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.45
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide (CID 146126484) is 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide is Cn1nc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1C1CC1.

What is the InChIKey of 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?

The InChIKey is ADMOHMVYKNYRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-23-16(12-5-6-12)10-14(22-23)18(24)20-9-7-17-21-15(11-25-17)13-4-2-3-8-19-13/h2-4,8,10-12H,5-7,9H2,1H3,(H,20,24).

What are the key properties of 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?

5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146126484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).