N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C20H25N5O3 — CID 16672053

About N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 16672053) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• PubChem CID: 16672053
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• SMILES: COc1ccccc1OCCN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1
• InChI: InChI=1S/C20H25N5O3/c1-13-19(14(2)25(4)23-13)15-12-16(22-21-15)20(26)24(3)10-11-28-18-9-7-6-8-17(18)27-5/h6-9,12H,10-11H2,1-5H3,(H,21,22)
• InChIKey: YOVGCTWCWIVNJA-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 85.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 16672053) is N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

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

The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is COc1ccccc1OCCN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1.

What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The InChIKey is YOVGCTWCWIVNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-19(14(2)25(4)23-13)15-12-16(22-21-15)20(26)24(3)10-11-28-18-9-7-6-8-17(18)27-5/h6-9,12H,10-11H2,1-5H3,(H,21,22).

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

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16672053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).