5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide

C23H24ClN5O3 — CID 19448558

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19448558) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19448558
• Molecular Formula: C23H24ClN5O3
• Molecular Weight: 453.93 g/mol
• Exact Mass: 453.16
• IUPAC Name: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: CCc1ccc(OCn2cc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)cn2)cc1
• InChI: InChI=1S/C23H24ClN5O3/c1-4-17-5-7-19(8-6-17)31-14-28-12-18(11-25-28)26-23(30)21-10-9-20(32-21)13-29-16(3)22(24)15(2)27-29/h5-12H,4,13-14H2,1-3H3,(H,26,30)
• InChIKey: ZTYVUYGECJGKHZ-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 87.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.93
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19448558) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide is CCc1ccc(OCn2cc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)cn2)cc1.

What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?

The InChIKey is ZTYVUYGECJGKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-4-17-5-7-19(8-6-17)31-14-28-12-18(11-25-28)26-23(30)21-10-9-20(32-21)13-29-16(3)22(24)15(2)27-29/h5-12H,4,13-14H2,1-3H3,(H,26,30).

What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19448558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).