N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

C17H14BrF2N3O2 — CID 4694399

IUPACN-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3c(F)cc(F)cc3Br)o2)n1
InChIInChI=1S/C17H14BrF2N3O2/c1-9-5-10(2)23(22-9)8-12-3-4-15(25-12)17(24)21-16-13(18)6-11(19)7-14(16)20/h3-7H,8H2,1-2H3,(H,21,24)
InChIKeyLOSGGOWSVFNOLR-UHFFFAOYSA-N
MW410.22 g/mol
LogP4.43
Rot. Bonds4

About N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 4694399) has the molecular formula C17H14BrF2N3O2 and a molecular weight of 410.22 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID4694399
Molecular FormulaC17H14BrF2N3O2
Molecular Weight410.22 g/mol
Exact Mass409.02
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3c(F)cc(F)cc3Br)o2)n1
InChIInChI=1S/C17H14BrF2N3O2/c1-9-5-10(2)23(22-9)8-12-3-4-15(25-12)17(24)21-16-13(18)6-11(19)7-14(16)20/h3-7H,8H2,1-2H3,(H,21,24)
InChIKeyLOSGGOWSVFNOLR-UHFFFAOYSA-N
XLogP4.43
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19466107
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 4770745
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
sodium 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
CID 19616340
N-cyclopentyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466000
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19467777
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 19466042
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19467753
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 171130993
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19466051
6-(difluoromethyl)-3-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19466134
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19467768

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (CID 4694399) is N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3c(F)cc(F)cc3Br)o2)n1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is LOSGGOWSVFNOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2N3O2/c1-9-5-10(2)23(22-9)8-12-3-4-15(25-12)17(24)21-16-13(18)6-11(19)7-14(16)20/h3-7H,8H2,1-2H3,(H,21,24).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 410.22 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 4694399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).