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

C16H17ClN6O3 — CID 56754413

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

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56754413) has the molecular formula C16H17ClN6O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 56754413
• Molecular Formula: C16H17ClN6O3
• Molecular Weight: 376.80 g/mol
• Exact Mass: 376.11
• IUPAC Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
• SMILES: COc1ccc(OCc2cc(C(=O)NCc3n[nH]c(C)n3)n[nH]2)c(Cl)c1
• InChI: InChI=1S/C16H17ClN6O3/c1-9-19-15(23-20-9)7-18-16(24)13-5-10(21-22-13)8-26-14-4-3-11(25-2)6-12(14)17/h3-6H,7-8H2,1-2H3,(H,18,24)(H,21,22)(H,19,20,23)
• InChIKey: HZHFXMPFDFIVGY-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 117.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.80
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide (CID 56754413) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide.

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

The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NCc3n[nH]c(C)n3)n[nH]2)c(Cl)c1.

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

The InChIKey is HZHFXMPFDFIVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O3/c1-9-19-15(23-20-9)7-18-16(24)13-5-10(21-22-13)8-26-14-4-3-11(25-2)6-12(14)17/h3-6H,7-8H2,1-2H3,(H,18,24)(H,21,22)(H,19,20,23).

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

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 376.80 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56754413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).