N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide

C22H23FN4O3 — CID 91904890

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 91904890) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
• PubChem CID: 91904890
• Molecular Formula: C22H23FN4O3
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.18
• IUPAC Name: N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
• SMILES: COc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1OC
• InChI: InChI=1S/C22H23FN4O3/c1-29-19-8-5-15(11-20(19)30-2)22(28)24-17-9-10-27(13-17)21-12-18(25-26-21)14-3-6-16(23)7-4-14/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,24,28)(H,25,26)
• InChIKey: GBKLTXGTKIDLMP-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide?

The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide (CID 91904890) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide.

What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide?

The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1OC.

What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide?

The InChIKey is GBKLTXGTKIDLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-29-19-8-5-15(11-20(19)30-2)22(28)24-17-9-10-27(13-17)21-12-18(25-26-21)14-3-6-16(23)7-4-14/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,24,28)(H,25,26).

What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide?

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 410.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 91904890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).