4-fluoro-2-(1H-pyrazol-5-yl)benzamide

C10H8FN3O — CID 70006943

IUPAC4-fluoro-2-(1H-pyrazol-5-yl)benzamide
SMILESNC(=O)c1ccc(F)cc1-c1ccn[nH]1
InChIInChI=1S/C10H8FN3O/c11-6-1-2-7(10(12)15)8(5-6)9-3-4-13-14-9/h1-5H,(H2,12,15)(H,13,14)
InChIKeyJCKPIZUEHSWMOI-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.31
Rot. Bonds2

About 4-fluoro-2-(1H-pyrazol-5-yl)benzamide

4-fluoro-2-(1H-pyrazol-5-yl)benzamide (PubChem CID 70006943) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 4-fluoro-2-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(1H-pyrazol-5-yl)benzamide
PubChem CID70006943
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name4-fluoro-2-(1H-pyrazol-5-yl)benzamide
SMILESNC(=O)c1ccc(F)cc1-c1ccn[nH]1
InChIInChI=1S/C10H8FN3O/c11-6-1-2-7(10(12)15)8(5-6)9-3-4-13-14-9/h1-5H,(H2,12,15)(H,13,14)
InChIKeyJCKPIZUEHSWMOI-UHFFFAOYSA-N
XLogP1.31
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-2-(1H-pyrazol-5-yl)benzamide (CID 70006943) is 4-fluoro-2-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-2-(1H-pyrazol-5-yl)benzamide is NC(=O)c1ccc(F)cc1-c1ccn[nH]1.
What is the InChIKey of 4-fluoro-2-(1H-pyrazol-5-yl)benzamide?
The InChIKey is JCKPIZUEHSWMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-6-1-2-7(10(12)15)8(5-6)9-3-4-13-14-9/h1-5H,(H2,12,15)(H,13,14).
What are the key properties of 4-fluoro-2-(1H-pyrazol-5-yl)benzamide?
4-fluoro-2-(1H-pyrazol-5-yl)benzamide has a molecular weight of 205.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 70006943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).