4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

C22H23ClN6O3 — CID 19442298

About 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19442298) has the molecular formula C22H23ClN6O3 and a molecular weight of 454.92 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 19442298
• Molecular Formula: C22H23ClN6O3
• Molecular Weight: 454.92 g/mol
• Exact Mass: 454.15
• IUPAC Name: 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COc1cccc(Cn2cc(NC(=O)c3noc(C)c3Cn3nc(C)c(Cl)c3C)cn2)c1
• InChI: InChI=1S/C22H23ClN6O3/c1-13-20(23)14(2)29(26-13)12-19-15(3)32-27-21(19)22(30)25-17-9-24-28(11-17)10-16-6-5-7-18(8-16)31-4/h5-9,11H,10,12H2,1-4H3,(H,25,30)
• InChIKey: FAOPRCXJICDKSL-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 100.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.92
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19442298) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is COc1cccc(Cn2cc(NC(=O)c3noc(C)c3Cn3nc(C)c(Cl)c3C)cn2)c1.

What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is FAOPRCXJICDKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O3/c1-13-20(23)14(2)29(26-13)12-19-15(3)32-27-21(19)22(30)25-17-9-24-28(11-17)10-16-6-5-7-18(8-16)31-4/h5-9,11H,10,12H2,1-4H3,(H,25,30).

What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 454.92 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19442298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).