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

C20H21ClN6O3 — CID 19509579

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

3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19509579) has the molecular formula C20H21ClN6O3 and a molecular weight of 428.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 19509579
• Molecular Formula: C20H21ClN6O3
• Molecular Weight: 428.88 g/mol
• Exact Mass: 428.14
• IUPAC Name: 3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
• SMILES: CCn1ncc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1C(=O)N1CCOCC1
• InChI: InChI=1S/C20H21ClN6O3/c1-2-27-18(20(29)26-7-9-30-10-8-26)17(12-22-27)23-19(28)16-11-15(24-25-16)13-3-5-14(21)6-4-13/h3-6,11-12H,2,7-10H2,1H3,(H,23,28)(H,24,25)
• InChIKey: TWHWEHWSJMCGJR-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 105.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.88
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (CID 19509579) is 3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

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

The canonical SMILES for 3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is CCn1ncc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1C(=O)N1CCOCC1.

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

The InChIKey is TWHWEHWSJMCGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O3/c1-2-27-18(20(29)26-7-9-30-10-8-26)17(12-22-27)23-19(28)16-11-15(24-25-16)13-3-5-14(21)6-4-13/h3-6,11-12H,2,7-10H2,1H3,(H,23,28)(H,24,25).

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

3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).