N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide

C28H30N4O4 — CID 19452540

About N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide

N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 19452540) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
• PubChem CID: 19452540
• Molecular Formula: C28H30N4O4
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.23
• IUPAC Name: N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
• SMILES: CCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c1
• InChI: InChI=1S/C28H30N4O4/c1-5-32-24(15-16-29-32)26(33)30-20-7-6-8-21(17-20)31-27(34)25-14-13-23(36-25)18-35-22-11-9-19(10-12-22)28(2,3)4/h6-17H,5,18H2,1-4H3,(H,30,33)(H,31,34)
• InChIKey: JDQGQKARBOVGON-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 98.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?

The IUPAC name of N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide (CID 19452540) is N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide.

What is the SMILES notation for N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?

The canonical SMILES for N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c1.

What is the InChIKey of N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?

The InChIKey is JDQGQKARBOVGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-5-32-24(15-16-29-32)26(33)30-20-7-6-8-21(17-20)31-27(34)25-14-13-23(36-25)18-35-22-11-9-19(10-12-22)28(2,3)4/h6-17H,5,18H2,1-4H3,(H,30,33)(H,31,34).

What are the key properties of N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide?

N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19452540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).