3-fluoro-N-(1H-pyrazol-5-yl)benzamide

C10H8FN3O — CID 61393163

IUPAC3-fluoro-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cccc(F)c1
InChIInChI=1S/C10H8FN3O/c11-8-3-1-2-7(6-8)10(15)13-9-4-5-12-14-9/h1-6H,(H2,12,13,14,15)
InChIKeySMYAUCJMZRSAGR-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.80
Rot. Bonds2

About 3-fluoro-N-(1H-pyrazol-5-yl)benzamide

3-fluoro-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 61393163) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-fluoro-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1H-pyrazol-5-yl)benzamide
PubChem CID61393163
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name3-fluoro-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cccc(F)c1
InChIInChI=1S/C10H8FN3O/c11-8-3-1-2-7(6-8)10(15)13-9-4-5-12-14-9/h1-6H,(H2,12,13,14,15)
InChIKeySMYAUCJMZRSAGR-UHFFFAOYSA-N
XLogP1.80
TPSA57.78 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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-N-(1H-pyrazol-5-yl)benzamide (CID 61393163) is 3-fluoro-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is SMYAUCJMZRSAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-8-3-1-2-7(6-8)10(15)13-9-4-5-12-14-9/h1-6H,(H2,12,13,14,15).
What are the key properties of 3-fluoro-N-(1H-pyrazol-5-yl)benzamide?
3-fluoro-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 205.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 61393163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).