4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

C26H34N8O3 — CID 25032506

About 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 25032506) has the molecular formula C26H34N8O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 25032506
• Molecular Formula: C26H34N8O3
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.28
• IUPAC Name: 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
• SMILES: Nc1ccc(CN2CCOCC2)cc1NC(=O)c1[nH]ncc1Nc1ccc(CN2CCOCC2)cc1N
• InChI: InChI=1S/C26H34N8O3/c27-20-3-1-19(17-34-7-11-37-12-8-34)14-23(20)31-26(35)25-24(15-29-32-25)30-22-4-2-18(13-21(22)28)16-33-5-9-36-10-6-33/h1-4,13-15,30H,5-12,16-17,27-28H2,(H,29,32)(H,31,35)
• InChIKey: ADSPEUQQUSHGSL-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 146.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 25032506) is 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is Nc1ccc(CN2CCOCC2)cc1NC(=O)c1[nH]ncc1Nc1ccc(CN2CCOCC2)cc1N.

What is the InChIKey of 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?

The InChIKey is ADSPEUQQUSHGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O3/c27-20-3-1-19(17-34-7-11-37-12-8-34)14-23(20)31-26(35)25-24(15-29-32-25)30-22-4-2-18(13-21(22)28)16-33-5-9-36-10-6-33/h1-4,13-15,30H,5-12,16-17,27-28H2,(H,29,32)(H,31,35).

What are the key properties of 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?

4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 506.61 g/mol, XLogP of 2.23, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-amino-4-(morpholin-4-ylmethyl)anilino]-N-[2-amino-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 25032506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).