2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide

C30H33N5O3 — CID 1056542

About 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide

2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide (PubChem CID 1056542) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
• PubChem CID: 1056542
• Molecular Formula: C30H33N5O3
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.26
• IUPAC Name: 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
• SMILES: COc1ccccc1NC(=O)N(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C)cc1)C(C)C
• InChI: InChI=1S/C30H33N5O3/c1-20(2)34(30(37)31-25-13-9-10-14-26(25)38-5)19-27(36)32-29-28(23-11-7-6-8-12-23)22(4)33-35(29)24-17-15-21(3)16-18-24/h6-18,20H,19H2,1-5H3,(H,31,37)(H,32,36)
• InChIKey: ICUFUJHSVZZNHK-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide?

The IUPAC name of 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide (CID 1056542) is 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide.

What is the SMILES notation for 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide?

The canonical SMILES for 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide is COc1ccccc1NC(=O)N(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C)cc1)C(C)C.

What is the InChIKey of 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide?

The InChIKey is ICUFUJHSVZZNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c1-20(2)34(30(37)31-25-13-9-10-14-26(25)38-5)19-27(36)32-29-28(23-11-7-6-8-12-23)22(4)33-35(29)24-17-15-21(3)16-18-24/h6-18,20H,19H2,1-5H3,(H,31,37)(H,32,36).

What are the key properties of 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide?

2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide has a molecular weight of 511.63 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 1056542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).