4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

C24H26N6O4 — CID 19336789

About 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 19336789) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
• PubChem CID: 19336789
• Molecular Formula: C24H26N6O4
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.20
• IUPAC Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
• SMILES: Cc1ccc(C)c(OCc2ccc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)o2)c1
• InChI: InChI=1S/C24H26N6O4/c1-15-5-6-16(2)21(9-15)33-14-18-7-8-20(34-18)23(31)28-19-12-27-30(4)22(19)24(32)25-10-17-11-26-29(3)13-17/h5-9,11-13H,10,14H2,1-4H3,(H,25,32)(H,28,31)
• InChIKey: OKOCIPXQHBXOEF-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 116.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?

The IUPAC name of 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (CID 19336789) is 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.

What is the SMILES notation for 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?

The canonical SMILES for 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is Cc1ccc(C)c(OCc2ccc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)o2)c1.

What is the InChIKey of 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?

The InChIKey is OKOCIPXQHBXOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-15-5-6-16(2)21(9-15)33-14-18-7-8-20(34-18)23(31)28-19-12-27-30(4)22(19)24(32)25-10-17-11-26-29(3)13-17/h5-9,11-13H,10,14H2,1-4H3,(H,25,32)(H,28,31).

What are the key properties of 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?

4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19336789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).