N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide

C19H21FN6O2 — CID 92634677

About N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide

N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 92634677) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide
• PubChem CID: 92634677
• Molecular Formula: C19H21FN6O2
• Molecular Weight: 384.42 g/mol
• Exact Mass: 384.17
• IUPAC Name: N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide
• SMILES: Cc1n[nH]c(C)c1CNC(=O)Cn1cc(NC(=O)Cc2ccccc2F)cn1
• InChI: InChI=1S/C19H21FN6O2/c1-12-16(13(2)25-24-12)9-21-19(28)11-26-10-15(8-22-26)23-18(27)7-14-5-3-4-6-17(14)20/h3-6,8,10H,7,9,11H2,1-2H3,(H,21,28)(H,23,27)(H,24,25)
• InChIKey: TZFWNBBEAOZRGE-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 104.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.42
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide?

The IUPAC name of N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide (CID 92634677) is N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide.

What is the SMILES notation for N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide?

The canonical SMILES for N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide is Cc1n[nH]c(C)c1CNC(=O)Cn1cc(NC(=O)Cc2ccccc2F)cn1.

What is the InChIKey of N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide?

The InChIKey is TZFWNBBEAOZRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-12-16(13(2)25-24-12)9-21-19(28)11-26-10-15(8-22-26)23-18(27)7-14-5-3-4-6-17(14)20/h3-6,8,10H,7,9,11H2,1-2H3,(H,21,28)(H,23,27)(H,24,25).

What are the key properties of N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide?

N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 384.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 92634677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).