5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

C21H15ClF5N5O2 — CID 19468072

About 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19468072) has the molecular formula C21H15ClF5N5O2 and a molecular weight of 499.83 g/mol. Its IUPAC name is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 19468072
• Molecular Formula: C21H15ClF5N5O2
• Molecular Weight: 499.83 g/mol
• Exact Mass: 499.08
• IUPAC Name: 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ccn(Cc2ccc(F)cc2Cl)n1)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1
• InChI: InChI=1S/C21H15ClF5N5O2/c22-14-7-12(23)2-1-11(14)9-31-6-5-18(30-31)28-21(33)17-4-3-13(34-17)10-32-16(20(26)27)8-15(29-32)19(24)25/h1-8,19-20H,9-10H2,(H,28,30,33)
• InChIKey: MYAYIYLIQVRRIQ-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 77.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.83
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19468072) is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1ccn(Cc2ccc(F)cc2Cl)n1)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1.

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

The InChIKey is MYAYIYLIQVRRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF5N5O2/c22-14-7-12(23)2-1-11(14)9-31-6-5-18(30-31)28-21(33)17-4-3-13(34-17)10-32-16(20(26)27)8-15(29-32)19(24)25/h1-8,19-20H,9-10H2,(H,28,30,33).

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

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 499.83 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19468072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).