(4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone

C12H12FN3O — CID 70967711

IUPAC(4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)c2nn(C)c(C)c2F)ccn1
InChIInChI=1S/C12H12FN3O/c1-7-6-9(4-5-14-7)12(17)11-10(13)8(2)16(3)15-11/h4-6H,1-3H3
InChIKeyMIQUGKUSLKCNHQ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.80
Rot. Bonds2

About (4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone

(4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone (PubChem CID 70967711) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is (4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone
PubChem CID70967711
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name(4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)c2nn(C)c(C)c2F)ccn1
InChIInChI=1S/C12H12FN3O/c1-7-6-9(4-5-14-7)12(17)11-10(13)8(2)16(3)15-11/h4-6H,1-3H3
InChIKeyMIQUGKUSLKCNHQ-UHFFFAOYSA-N
XLogP1.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.80
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)-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of (4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone (CID 70967711) is (4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for (4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone is Cc1cc(C(=O)c2nn(C)c(C)c2F)ccn1.
What is the InChIKey of (4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone?
The InChIKey is MIQUGKUSLKCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-6-9(4-5-14-7)12(17)11-10(13)8(2)16(3)15-11/h4-6H,1-3H3.
What are the key properties of (4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone?
(4-fluoro-1,5-dimethylpyrazol-3-yl)-(2-methyl-4-pyridinyl)methanone has a molecular weight of 233.25 g/mol, XLogP of 1.80, 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)-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 70967711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).