N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide

C14H9BrFN3O2 — CID 51131802

IUPACN-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1ccoc1
InChIInChI=1S/C14H9BrFN3O2/c15-10-3-9(4-11(16)5-10)12-6-13(19-18-12)17-14(20)8-1-2-21-7-8/h1-7H,(H2,17,18,19,20)
InChIKeyZXYFXHVTTJUFAE-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.82
Rot. Bonds3

About N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide

N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide (PubChem CID 51131802) has the molecular formula C14H9BrFN3O2 and a molecular weight of 350.15 g/mol. Its IUPAC name is N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide
PubChem CID51131802
Molecular FormulaC14H9BrFN3O2
Molecular Weight350.15 g/mol
Exact Mass348.99
IUPAC NameN-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1ccoc1
InChIInChI=1S/C14H9BrFN3O2/c15-10-3-9(4-11(16)5-10)12-6-13(19-18-12)17-14(20)8-1-2-21-7-8/h1-7H,(H2,17,18,19,20)
InChIKeyZXYFXHVTTJUFAE-UHFFFAOYSA-N
XLogP3.82
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide (CID 51131802) is N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide is O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1ccoc1.
What is the InChIKey of N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide?
The InChIKey is ZXYFXHVTTJUFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O2/c15-10-3-9(4-11(16)5-10)12-6-13(19-18-12)17-14(20)8-1-2-21-7-8/h1-7H,(H2,17,18,19,20).
What are the key properties of N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide?
N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide has a molecular weight of 350.15 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 51131802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).