5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide

C14H12FN3O2 — CID 47289705

IUPAC5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2oc3ccc(F)cc3c2C)n[nH]1
InChIInChI=1S/C14H12FN3O2/c1-7-5-12(18-17-7)16-14(19)13-8(2)10-6-9(15)3-4-11(10)20-13/h3-6H,1-2H3,(H2,16,17,18,19)
InChIKeySEMFWRBJHNCHOA-UHFFFAOYSA-N
MW273.27 g/mol
LogP3.16
Rot. Bonds2

About 5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 47289705) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID47289705
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2oc3ccc(F)cc3c2C)n[nH]1
InChIInChI=1S/C14H12FN3O2/c1-7-5-12(18-17-7)16-14(19)13-8(2)10-6-9(15)3-4-11(10)20-13/h3-6H,1-2H3,(H2,16,17,18,19)
InChIKeySEMFWRBJHNCHOA-UHFFFAOYSA-N
XLogP3.16
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide (CID 47289705) is 5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide is Cc1cc(NC(=O)c2oc3ccc(F)cc3c2C)n[nH]1.
What is the InChIKey of 5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is SEMFWRBJHNCHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-7-5-12(18-17-7)16-14(19)13-8(2)10-6-9(15)3-4-11(10)20-13/h3-6H,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47289705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).