4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide

C20H22BrN3O2 — CID 55606806

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCc1nn(-c2ccc(C(=O)NC(C)CCc3ccco3)cc2)c(C)c1Br
InChIInChI=1S/C20H22BrN3O2/c1-13(6-11-18-5-4-12-26-18)22-20(25)16-7-9-17(10-8-16)24-15(3)19(21)14(2)23-24/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,22,25)
InChIKeyWAZLOASNBNABNJ-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.60
Rot. Bonds6

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 55606806) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID55606806
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCc1nn(-c2ccc(C(=O)NC(C)CCc3ccco3)cc2)c(C)c1Br
InChIInChI=1S/C20H22BrN3O2/c1-13(6-11-18-5-4-12-26-18)22-20(25)16-7-9-17(10-8-16)24-15(3)19(21)14(2)23-24/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,22,25)
InChIKeyWAZLOASNBNABNJ-UHFFFAOYSA-N
XLogP4.60
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]benzamide
CID 39948589
4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 25329425
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 47010072
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 44762282

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide (CID 55606806) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide is Cc1nn(-c2ccc(C(=O)NC(C)CCc3ccco3)cc2)c(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is WAZLOASNBNABNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-13(6-11-18-5-4-12-26-18)22-20(25)16-7-9-17(10-8-16)24-15(3)19(21)14(2)23-24/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,22,25).
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 416.32 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 55606806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).