N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide

C16H14FN3O2 — CID 46412606

IUPACN-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)n(C)n1
InChIInChI=1S/C16H14FN3O2/c1-10-9-15(20(2)19-10)18-16(21)14-8-7-13(22-14)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,21)
InChIKeyYKOJIBDCRYMZSN-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.38
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 46412606) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID46412606
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)n(C)n1
InChIInChI=1S/C16H14FN3O2/c1-10-9-15(20(2)19-10)18-16(21)14-8-7-13(22-14)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,21)
InChIKeyYKOJIBDCRYMZSN-UHFFFAOYSA-N
XLogP3.38
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide (CID 46412606) is N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is YKOJIBDCRYMZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-10-9-15(20(2)19-10)18-16(21)14-8-7-13(22-14)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,21).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 46412606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).