N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C23H28F3N5O3 — CID 19566525

About N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19566525) has the molecular formula C23H28F3N5O3 and a molecular weight of 479.50 g/mol. Its IUPAC name is N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• PubChem CID: 19566525
• Molecular Formula: C23H28F3N5O3
• Molecular Weight: 479.50 g/mol
• Exact Mass: 479.21
• IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• SMILES: CCOc1ccc(Cn2cc(NC(=O)C(C)Cn3nc(C(F)(F)F)cc3C)cn2)cc1OCC
• InChI: InChI=1S/C23H28F3N5O3/c1-5-33-19-8-7-17(10-20(19)34-6-2)13-30-14-18(11-27-30)28-22(32)15(3)12-31-16(4)9-21(29-31)23(24,25)26/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,28,32)
• InChIKey: XLVCDJZPJVHEND-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 83.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.50
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The IUPAC name of N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19566525) is N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

What is the SMILES notation for N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The canonical SMILES for N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CCOc1ccc(Cn2cc(NC(=O)C(C)Cn3nc(C(F)(F)F)cc3C)cn2)cc1OCC.

What is the InChIKey of N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The InChIKey is XLVCDJZPJVHEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O3/c1-5-33-19-8-7-17(10-20(19)34-6-2)13-30-14-18(11-27-30)28-22(32)15(3)12-31-16(4)9-21(29-31)23(24,25)26/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,28,32).

What are the key properties of N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 479.50 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19566525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).