4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide

C17H15BrClN3O2 — CID 55607773

IUPAC4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)oc(C)c2Br)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H15BrClN3O2/c1-9-7-14(22(21-9)13-6-4-5-12(19)8-13)20-17(23)15-10(2)24-11(3)16(15)18/h4-8H,1-3H3,(H,20,23)
InChIKeyGYWNDZRXDGZUHR-UHFFFAOYSA-N
MW408.68 g/mol
LogP5.06
Rot. Bonds3

About 4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide

4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55607773) has the molecular formula C17H15BrClN3O2 and a molecular weight of 408.68 g/mol. Its IUPAC name is 4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55607773
Molecular FormulaC17H15BrClN3O2
Molecular Weight408.68 g/mol
Exact Mass407.00
IUPAC Name4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)oc(C)c2Br)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H15BrClN3O2/c1-9-7-14(22(21-9)13-6-4-5-12(19)8-13)20-17(23)15-10(2)24-11(3)16(15)18/h4-8H,1-3H3,(H,20,23)
InChIKeyGYWNDZRXDGZUHR-UHFFFAOYSA-N
XLogP5.06
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.68
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55378083
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(methylsulfanylmethyl)benzamide
CID 55480086
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
CID 55643391
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55377865
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide
CID 138992034
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55480744

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide (CID 55607773) is 4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(NC(=O)c2c(C)oc(C)c2Br)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is GYWNDZRXDGZUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O2/c1-9-7-14(22(21-9)13-6-4-5-12(19)8-13)20-17(23)15-10(2)24-11(3)16(15)18/h4-8H,1-3H3,(H,20,23).
What are the key properties of 4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide?
4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 408.68 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55607773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).