(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C21H21N7O2 — CID 97263754

About (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 97263754) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
• PubChem CID: 97263754
• Molecular Formula: C21H21N7O2
• Molecular Weight: 403.45 g/mol
• Exact Mass: 403.18
• IUPAC Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
• SMILES: COc1cc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)ccc1-n1nc(C)cc1C
• InChI: InChI=1S/C21H21N7O2/c1-14-11-15(2)28(24-14)18-10-9-17(12-19(18)30-3)23-21(29)20(27-13-22-25-26-27)16-7-5-4-6-8-16/h4-13,20H,1-3H3,(H,23,29)/t20-/m1/s1
• InChIKey: CMVYURBGBJAPJE-HXUWFJFHSA-N
• XLogP: 2.71
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.45
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?

The IUPAC name of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 97263754) is (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

What is the SMILES notation for (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?

The canonical SMILES for (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is COc1cc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)ccc1-n1nc(C)cc1C.

What is the InChIKey of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?

The InChIKey is CMVYURBGBJAPJE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-14-11-15(2)28(24-14)18-10-9-17(12-19(18)30-3)23-21(29)20(27-13-22-25-26-27)16-7-5-4-6-8-16/h4-13,20H,1-3H3,(H,23,29)/t20-/m1/s1.

What are the key properties of (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?

(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 403.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 97263754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).