1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid

C14H9BrN2O3 — CID 43542653

IUPAC1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H9BrN2O3/c15-9-3-1-4-10(7-9)17-12(13-5-2-6-20-13)8-11(16-17)14(18)19/h1-8H,(H,18,19)
InChIKeyUIWLZRFGLNLBHZ-UHFFFAOYSA-N
MW333.14 g/mol
LogP3.59
Rot. Bonds3

About 1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid

1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid (PubChem CID 43542653) has the molecular formula C14H9BrN2O3 and a molecular weight of 333.14 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
PubChem CID43542653
Molecular FormulaC14H9BrN2O3
Molecular Weight333.14 g/mol
Exact Mass331.98
IUPAC Name1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H9BrN2O3/c15-9-3-1-4-10(7-9)17-12(13-5-2-6-20-13)8-11(16-17)14(18)19/h1-8H,(H,18,19)
InChIKeyUIWLZRFGLNLBHZ-UHFFFAOYSA-N
XLogP3.59
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid (CID 43542653) is 1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccco2)n(-c2cccc(Br)c2)n1.
What is the InChIKey of 1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is UIWLZRFGLNLBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O3/c15-9-3-1-4-10(7-9)17-12(13-5-2-6-20-13)8-11(16-17)14(18)19/h1-8H,(H,18,19).
What are the key properties of 1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid?
1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 333.14 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 43542653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).