5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide

C15H10BrF2N3O2 — CID 3569532

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C15H10BrF2N3O2/c16-9-6-19-21(7-9)8-11-2-4-14(23-11)15(22)20-10-1-3-12(17)13(18)5-10/h1-7H,8H2,(H,20,22)
InChIKeyPVZBZHFESXNDAL-UHFFFAOYSA-N
MW382.16 g/mol
LogP3.82
Rot. Bonds4

About 5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide

5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide (PubChem CID 3569532) has the molecular formula C15H10BrF2N3O2 and a molecular weight of 382.16 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide
PubChem CID3569532
Molecular FormulaC15H10BrF2N3O2
Molecular Weight382.16 g/mol
Exact Mass380.99
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C15H10BrF2N3O2/c16-9-6-19-21(7-9)8-11-2-4-14(23-11)15(22)20-10-1-3-12(17)13(18)5-10/h1-7H,8H2,(H,20,22)
InChIKeyPVZBZHFESXNDAL-UHFFFAOYSA-N
XLogP3.82
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide (CID 3569532) is 5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide?
The InChIKey is PVZBZHFESXNDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N3O2/c16-9-6-19-21(7-9)8-11-2-4-14(23-11)15(22)20-10-1-3-12(17)13(18)5-10/h1-7H,8H2,(H,20,22).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide has a molecular weight of 382.16 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 3569532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).