(4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone

C11H10FN3O — CID 70967712

IUPAC(4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone
SMILESCc1c(F)c(C(=O)c2ccccn2)nn1C
InChIInChI=1S/C11H10FN3O/c1-7-9(12)10(14-15(7)2)11(16)8-5-3-4-6-13-8/h3-6H,1-2H3
InChIKeyVCDITSAETIPHOC-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.49
Rot. Bonds2

About (4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone

(4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone (PubChem CID 70967712) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is (4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone
PubChem CID70967712
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name(4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone
SMILESCc1c(F)c(C(=O)c2ccccn2)nn1C
InChIInChI=1S/C11H10FN3O/c1-7-9(12)10(14-15(7)2)11(16)8-5-3-4-6-13-8/h3-6H,1-2H3
InChIKeyVCDITSAETIPHOC-UHFFFAOYSA-N
XLogP1.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone?
The IUPAC name of (4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone (CID 70967712) is (4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone is Cc1c(F)c(C(=O)c2ccccn2)nn1C.
What is the InChIKey of (4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone?
The InChIKey is VCDITSAETIPHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-9(12)10(14-15(7)2)11(16)8-5-3-4-6-13-8/h3-6H,1-2H3.
What are the key properties of (4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone?
(4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone has a molecular weight of 219.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,5-dimethylpyrazol-3-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 70967712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).