1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide

C22H23FN4O3 — CID 9301358

About 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide (PubChem CID 9301358) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
• PubChem CID: 9301358
• Molecular Formula: C22H23FN4O3
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.18
• IUPAC Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
• SMILES: COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(=O)NC(C)C)c1
• InChI: InChI=1S/C22H23FN4O3/c1-14(2)25-20(28)12-24-22(29)19-13-27(17-9-7-16(23)8-10-17)26-21(19)15-5-4-6-18(11-15)30-3/h4-11,13-14H,12H2,1-3H3,(H,24,29)(H,25,28)
• InChIKey: ADBPXHWJXXSBEW-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide (CID 9301358) is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(=O)NC(C)C)c1.

What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?

The InChIKey is ADBPXHWJXXSBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14(2)25-20(28)12-24-22(29)19-13-27(17-9-7-16(23)8-10-17)26-21(19)15-5-4-6-18(11-15)30-3/h4-11,13-14H,12H2,1-3H3,(H,24,29)(H,25,28).

What are the key properties of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 9301358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).