4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide

C16H14BrN3O2 — CID 78866497

IUPAC4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(-n3cccn3)cc2)c1Br
InChIInChI=1S/C16H14BrN3O2/c1-10-14(15(17)11(2)22-10)16(21)19-12-4-6-13(7-5-12)20-9-3-8-18-20/h3-9H,1-2H3,(H,19,21)
InChIKeyJDDUSLVZWSNDNK-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.10
Rot. Bonds3

About 4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide

4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide (PubChem CID 78866497) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide
PubChem CID78866497
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(-n3cccn3)cc2)c1Br
InChIInChI=1S/C16H14BrN3O2/c1-10-14(15(17)11(2)22-10)16(21)19-12-4-6-13(7-5-12)20-9-3-8-18-20/h3-9H,1-2H3,(H,19,21)
InChIKeyJDDUSLVZWSNDNK-UHFFFAOYSA-N
XLogP4.10
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
5-bromo-N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 62955085
4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 35535373
N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 35275358
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide
CID 35534221
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 55980228
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide?
The IUPAC name of 4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide (CID 78866497) is 4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide.
What is the SMILES notation for 4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide?
The canonical SMILES for 4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide is Cc1oc(C)c(C(=O)Nc2ccc(-n3cccn3)cc2)c1Br.
What is the InChIKey of 4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide?
The InChIKey is JDDUSLVZWSNDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-10-14(15(17)11(2)22-10)16(21)19-12-4-6-13(7-5-12)20-9-3-8-18-20/h3-9H,1-2H3,(H,19,21).
What are the key properties of 4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide?
4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide is sourced from PubChem (CID 78866497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).