3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide

C14H10FN5O — CID 122185330

IUPAC3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide
SMILESNC(=O)c1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C14H10FN5O/c15-11-5-9(4-10(6-11)14(16)21)12-7-13(18-8-17-12)20-3-1-2-19-20/h1-8H,(H2,16,21)
InChIKeyJEOLLIJNXNLLEV-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.57
Rot. Bonds3

About 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide

3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide (PubChem CID 122185330) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide
PubChem CID122185330
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC Name3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide
SMILESNC(=O)c1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C14H10FN5O/c15-11-5-9(4-10(6-11)14(16)21)12-7-13(18-8-17-12)20-3-1-2-19-20/h1-8H,(H2,16,21)
InChIKeyJEOLLIJNXNLLEV-UHFFFAOYSA-N
XLogP1.57
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide (CID 122185330) is 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide is NC(=O)c1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1.
What is the InChIKey of 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is JEOLLIJNXNLLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c15-11-5-9(4-10(6-11)14(16)21)12-7-13(18-8-17-12)20-3-1-2-19-20/h1-8H,(H2,16,21).
What are the key properties of 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide?
3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 283.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 122185330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).