1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

C21H16Cl2N4O2 — CID 5187683

About 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (PubChem CID 5187683) has the molecular formula C21H16Cl2N4O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
• PubChem CID: 5187683
• Molecular Formula: C21H16Cl2N4O2
• Molecular Weight: 427.29 g/mol
• Exact Mass: 426.07
• IUPAC Name: 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)NCc3ccncc3)n(-c3ccc(Cl)c(Cl)c3)n2)o1
• InChI: InChI=1S/C21H16Cl2N4O2/c1-13-2-5-20(29-13)18-11-19(21(28)25-12-14-6-8-24-9-7-14)27(26-18)15-3-4-16(22)17(23)10-15/h2-11H,12H2,1H3,(H,25,28)
• InChIKey: KZHCWIKDDJGQRZ-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.29
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?

The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (CID 5187683) is 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.

What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?

The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccncc3)n(-c3ccc(Cl)c(Cl)c3)n2)o1.

What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?

The InChIKey is KZHCWIKDDJGQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2/c1-13-2-5-20(29-13)18-11-19(21(28)25-12-14-6-8-24-9-7-14)27(26-18)15-3-4-16(22)17(23)10-15/h2-11H,12H2,1H3,(H,25,28).

What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?

1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 427.29 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5187683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).