5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide

C14H9Br2N3O2 — CID 35537874

IUPAC5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccc(Br)o1
InChIInChI=1S/C14H9Br2N3O2/c15-9-7-17-19(8-9)11-3-1-10(2-4-11)18-14(20)12-5-6-13(16)21-12/h1-8H,(H,18,20)
InChIKeyAKVKXWVXRQPSFG-UHFFFAOYSA-N
MW411.05 g/mol
LogP4.24
Rot. Bonds3

About 5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 35537874) has the molecular formula C14H9Br2N3O2 and a molecular weight of 411.05 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID35537874
Molecular FormulaC14H9Br2N3O2
Molecular Weight411.05 g/mol
Exact Mass408.91
IUPAC Name5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccc(Br)o1
InChIInChI=1S/C14H9Br2N3O2/c15-9-7-17-19(8-9)11-3-1-10(2-4-11)18-14(20)12-5-6-13(16)21-12/h1-8H,(H,18,20)
InChIKeyAKVKXWVXRQPSFG-UHFFFAOYSA-N
XLogP4.24
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.05
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 5306879
N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55602278
5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide
CID 31409773
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol
CID 117420978
N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 35275522
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 35275447

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide (CID 35537874) is 5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is AKVKXWVXRQPSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O2/c15-9-7-17-19(8-9)11-3-1-10(2-4-11)18-14(20)12-5-6-13(16)21-12/h1-8H,(H,18,20).
What are the key properties of 5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 411.05 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 35537874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).