N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide

C29H30ClN5O3 — CID 3300991

About N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide

N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide (PubChem CID 3300991) has the molecular formula C29H30ClN5O3 and a molecular weight of 532.04 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide.

Molecular Properties

• Compound Name: N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
• PubChem CID: 3300991
• Molecular Formula: C29H30ClN5O3
• Molecular Weight: 532.04 g/mol
• Exact Mass: 531.20
• IUPAC Name: N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
• SMILES: CCOc1ccccc1NC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)C(C)C
• InChI: InChI=1S/C29H30ClN5O3/c1-4-38-26-17-11-9-15-23(26)31-29(37)34(20(2)3)19-28(36)32-27-18-24(21-12-6-5-7-13-21)33-35(27)25-16-10-8-14-22(25)30/h5-18,20H,4,19H2,1-3H3,(H,31,37)(H,32,36)
• InChIKey: YIAHVIASSIWSRR-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.04
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?

The IUPAC name of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide (CID 3300991) is N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide.

What is the SMILES notation for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?

The canonical SMILES for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide is CCOc1ccccc1NC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)C(C)C.

What is the InChIKey of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?

The InChIKey is YIAHVIASSIWSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN5O3/c1-4-38-26-17-11-9-15-23(26)31-29(37)34(20(2)3)19-28(36)32-27-18-24(21-12-6-5-7-13-21)33-35(27)25-16-10-8-14-22(25)30/h5-18,20H,4,19H2,1-3H3,(H,31,37)(H,32,36).

What are the key properties of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?

N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide has a molecular weight of 532.04 g/mol, XLogP of 6.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 3300991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).