3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide

C20H20Cl2N6O3 — CID 19510190

About 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19510190) has the molecular formula C20H20Cl2N6O3 and a molecular weight of 463.33 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 19510190
• Molecular Formula: C20H20Cl2N6O3
• Molecular Weight: 463.33 g/mol
• Exact Mass: 462.10
• IUPAC Name: 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
• SMILES: CCn1ncc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1C(=O)N1CCOCC1
• InChI: InChI=1S/C20H20Cl2N6O3/c1-2-28-18(20(30)27-5-7-31-8-6-27)17(11-23-28)24-19(29)16-10-15(25-26-16)13-4-3-12(21)9-14(13)22/h3-4,9-11H,2,5-8H2,1H3,(H,24,29)(H,25,26)
• InChIKey: ZCIOFYTUJIQREO-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 105.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.33
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (CID 19510190) is 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is CCn1ncc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1C(=O)N1CCOCC1.

What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?

The InChIKey is ZCIOFYTUJIQREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N6O3/c1-2-28-18(20(30)27-5-7-31-8-6-27)17(11-23-28)24-19(29)16-10-15(25-26-16)13-4-3-12(21)9-14(13)22/h3-4,9-11H,2,5-8H2,1H3,(H,24,29)(H,25,26).

What are the key properties of 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?

3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 463.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).