1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

C22H19F2N5O3 — CID 19279996

About 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19279996) has the molecular formula C22H19F2N5O3 and a molecular weight of 439.42 g/mol. Its IUPAC name is 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19279996
• Molecular Formula: C22H19F2N5O3
• Molecular Weight: 439.42 g/mol
• Exact Mass: 439.15
• IUPAC Name: 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: COc1cccc(Cn2cc(NC(=O)c3ccn(COc4ccc(F)cc4F)n3)cn2)c1
• InChI: InChI=1S/C22H19F2N5O3/c1-31-18-4-2-3-15(9-18)12-29-13-17(11-25-29)26-22(30)20-7-8-28(27-20)14-32-21-6-5-16(23)10-19(21)24/h2-11,13H,12,14H2,1H3,(H,26,30)
• InChIKey: KQYPOTZAQYQGGO-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 83.20 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	439.42
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 19279996) is 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is COc1cccc(Cn2cc(NC(=O)c3ccn(COc4ccc(F)cc4F)n3)cn2)c1.

What is the InChIKey of 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The InChIKey is KQYPOTZAQYQGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3/c1-31-18-4-2-3-15(9-18)12-29-13-17(11-25-29)26-22(30)20-7-8-28(27-20)14-32-21-6-5-16(23)10-19(21)24/h2-11,13H,12,14H2,1H3,(H,26,30).

What are the key properties of 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19279996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).