1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one

C12H12FN3O — CID 103007703

IUPAC1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1ccc(F)cn1
InChIInChI=1S/C12H12FN3O/c1-16-10(6-7-15-16)3-5-12(17)11-4-2-9(13)8-14-11/h2,4,6-8H,3,5H2,1H3
InChIKeyAMCQAQBBLOYHGO-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.77
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one

1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 103007703) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID103007703
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1ccc(F)cn1
InChIInChI=1S/C12H12FN3O/c1-16-10(6-7-15-16)3-5-12(17)11-4-2-9(13)8-14-11/h2,4,6-8H,3,5H2,1H3
InChIKeyAMCQAQBBLOYHGO-UHFFFAOYSA-N
XLogP1.77
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007529
1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007545
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
1-(3-iodophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024292
3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one
CID 103024371
1-(5-fluoro-2-pyridinyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 83110514
1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one
CID 79723515
5-hydrazinyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 103011437
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide
CID 103007115
1-(5-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007478
1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024409

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one (CID 103007703) is 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is AMCQAQBBLOYHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-16-10(6-7-15-16)3-5-12(17)11-4-2-9(13)8-14-11/h2,4,6-8H,3,5H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one?
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 233.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103007703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).