N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide

C12H12FN3O — CID 51078647

IUPACN-(1-ethylpyrazol-4-yl)-4-fluorobenzamide
SMILESCCn1cc(NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C12H12FN3O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3,(H,15,17)
InChIKeyOBDJLTJVFBLJIR-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.29
Rot. Bonds3

About N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide

N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide (PubChem CID 51078647) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-4-fluorobenzamide
PubChem CID51078647
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(1-ethylpyrazol-4-yl)-4-fluorobenzamide
SMILESCCn1cc(NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C12H12FN3O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3,(H,15,17)
InChIKeyOBDJLTJVFBLJIR-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide (CID 51078647) is N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide is CCn1cc(NC(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide?
The InChIKey is OBDJLTJVFBLJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3,(H,15,17).
What are the key properties of N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide?
N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide has a molecular weight of 233.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 51078647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).