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

C15H14FN3O2 — CID 48507279

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1cc(NC(=O)c2oc3ccc(F)cc3c2C)n[nH]1
InChIInChI=1S/C15H14FN3O2/c1-3-10-7-13(19-18-10)17-15(20)14-8(2)11-6-9(16)4-5-12(11)21-14/h4-7H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyUWQNYKDMSSYLLC-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.42
Rot. Bonds3

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

N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 48507279) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID48507279
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1cc(NC(=O)c2oc3ccc(F)cc3c2C)n[nH]1
InChIInChI=1S/C15H14FN3O2/c1-3-10-7-13(19-18-10)17-15(20)14-8(2)11-6-9(16)4-5-12(11)21-14/h4-7H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyUWQNYKDMSSYLLC-UHFFFAOYSA-N
XLogP3.42
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 48507279) is N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is CCc1cc(NC(=O)c2oc3ccc(F)cc3c2C)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is UWQNYKDMSSYLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-3-10-7-13(19-18-10)17-15(20)14-8(2)11-6-9(16)4-5-12(11)21-14/h4-7H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 48507279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).