5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide

C20H22FN5OS — CID 24611098

About 5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 24611098) has the molecular formula C20H22FN5OS and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide
• PubChem CID: 24611098
• Molecular Formula: C20H22FN5OS
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.15
• IUPAC Name: 5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide
• SMILES: CC1CCN(Cc2csc(NC(=O)c3cn[nH]c3-c3ccc(F)cc3)n2)CC1
• InChI: InChI=1S/C20H22FN5OS/c1-13-6-8-26(9-7-13)11-16-12-28-20(23-16)24-19(27)17-10-22-25-18(17)14-2-4-15(21)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3,(H,22,25)(H,23,24,27)
• InChIKey: JYWBGOLHITWVRB-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide (CID 24611098) is 5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide.

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

The canonical SMILES for 5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide is CC1CCN(Cc2csc(NC(=O)c3cn[nH]c3-c3ccc(F)cc3)n2)CC1.

What is the InChIKey of 5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide?

The InChIKey is JYWBGOLHITWVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5OS/c1-13-6-8-26(9-7-13)11-16-12-28-20(23-16)24-19(27)17-10-22-25-18(17)14-2-4-15(21)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3,(H,22,25)(H,23,24,27).

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

5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24611098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).