1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide

C19H15Cl2N7O2 — CID 162440198

About 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide

1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide (PubChem CID 162440198) has the molecular formula C19H15Cl2N7O2 and a molecular weight of 444.28 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide
• PubChem CID: 162440198
• Molecular Formula: C19H15Cl2N7O2
• Molecular Weight: 444.28 g/mol
• Exact Mass: 443.07
• IUPAC Name: 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide
• SMILES: NC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1ccc(-n2ncnc2CO)cc1
• InChI: InChI=1S/C19H15Cl2N7O2/c20-13-2-1-3-14(21)18(13)27-8-15(17(26-27)19(22)30)25-11-4-6-12(7-5-11)28-16(9-29)23-10-24-28/h1-8,10,25,29H,9H2,(H2,22,30)
• InChIKey: HYPBIMZZDACALU-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 123.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.28
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide?

The IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide (CID 162440198) is 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide.

What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide?

The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide is NC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1ccc(-n2ncnc2CO)cc1.

What is the InChIKey of 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide?

The InChIKey is HYPBIMZZDACALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N7O2/c20-13-2-1-3-14(21)18(13)27-8-15(17(26-27)19(22)30)25-11-4-6-12(7-5-11)28-16(9-29)23-10-24-28/h1-8,10,25,29H,9H2,(H2,22,30).

What are the key properties of 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide?

1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide has a molecular weight of 444.28 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).