N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide

C24H26Cl2N4O2 — CID 42734752

About N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide

N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide (PubChem CID 42734752) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide
• PubChem CID: 42734752
• Molecular Formula: C24H26Cl2N4O2
• Molecular Weight: 473.40 g/mol
• Exact Mass: 472.14
• IUPAC Name: N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)c2cc(Cl)cc(Cl)c2)cc1
• InChI: InChI=1S/C24H26Cl2N4O2/c1-15-6-8-19(9-7-15)30-21(13-20(28-30)24(2,3)4)27-22(31)14-29(5)23(32)16-10-17(25)12-18(26)11-16/h6-13H,14H2,1-5H3,(H,27,31)
• InChIKey: OQRCMSIKMDOBQJ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.40
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide?

The IUPAC name of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide (CID 42734752) is N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide.

What is the SMILES notation for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide?

The canonical SMILES for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)c2cc(Cl)cc(Cl)c2)cc1.

What is the InChIKey of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide?

The InChIKey is OQRCMSIKMDOBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-15-6-8-19(9-7-15)30-21(13-20(28-30)24(2,3)4)27-22(31)14-29(5)23(32)16-10-17(25)12-18(26)11-16/h6-13H,14H2,1-5H3,(H,27,31).

What are the key properties of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide?

N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide has a molecular weight of 473.40 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide is sourced from PubChem (CID 42734752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).