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

C18H15BrF3N3O2 — CID 2166680

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)o2)c(C)c1Br
InChIInChI=1S/C18H15BrF3N3O2/c1-10-16(19)11(2)25(24-10)9-12-7-8-15(27-12)17(26)23-14-6-4-3-5-13(14)18(20,21)22/h3-8H,9H2,1-2H3,(H,23,26)
InChIKeyCNKLNIRYNYRLGG-UHFFFAOYSA-N
MW442.24 g/mol
LogP5.17
Rot. Bonds4

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

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 2166680) has the molecular formula C18H15BrF3N3O2 and a molecular weight of 442.24 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID2166680
Molecular FormulaC18H15BrF3N3O2
Molecular Weight442.24 g/mol
Exact Mass441.03
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)o2)c(C)c1Br
InChIInChI=1S/C18H15BrF3N3O2/c1-10-16(19)11(2)25(24-10)9-12-7-8-15(27-12)17(26)23-14-6-4-3-5-13(14)18(20,21)22/h3-8H,9H2,1-2H3,(H,23,26)
InChIKeyCNKLNIRYNYRLGG-UHFFFAOYSA-N
XLogP5.17
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.24
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1022956
N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 1017805
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-furamide
CID 2193059
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
CID 3239894
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-[4-(dimethylamino)benzylidene]-2-furohydrazide
CID 6874059
N-[3-(N-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}ethanehydrazonoyl)phenyl]-2-methylpropanamide
CID 9617645
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 2166680) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)o2)c(C)c1Br.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is CNKLNIRYNYRLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF3N3O2/c1-10-16(19)11(2)25(24-10)9-12-7-8-15(27-12)17(26)23-14-6-4-3-5-13(14)18(20,21)22/h3-8H,9H2,1-2H3,(H,23,26).
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 442.24 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2166680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).