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

C21H16ClF2N5O2 — CID 19279852

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

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19279852) has the molecular formula C21H16ClF2N5O2 and a molecular weight of 443.84 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
• PubChem CID: 19279852
• Molecular Formula: C21H16ClF2N5O2
• Molecular Weight: 443.84 g/mol
• Exact Mass: 443.10
• IUPAC Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
• SMILES: O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccn(COc2ccc(F)cc2F)n1
• InChI: InChI=1S/C21H16ClF2N5O2/c22-15-3-1-14(2-4-15)12-28-10-8-20(27-28)25-21(30)18-7-9-29(26-18)13-31-19-6-5-16(23)11-17(19)24/h1-11H,12-13H2,(H,25,27,30)
• InChIKey: UKZGEDSHHYHVHL-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.84
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide (CID 19279852) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide.

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

The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccn(COc2ccc(F)cc2F)n1.

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

The InChIKey is UKZGEDSHHYHVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N5O2/c22-15-3-1-14(2-4-15)12-28-10-8-20(27-28)25-21(30)18-7-9-29(26-18)13-31-19-6-5-16(23)11-17(19)24/h1-11H,12-13H2,(H,25,27,30).

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

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 443.84 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19279852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).