(2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one

C14H17N3O — CID 102416543

IUPAC(2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one
SMILESCCC[C@H](C)C(=O)n1ccc(-c2ccccn2)n1
InChIInChI=1S/C14H17N3O/c1-3-6-11(2)14(18)17-10-8-13(16-17)12-7-4-5-9-15-12/h4-5,7-11H,3,6H2,1-2H3/t11-/m0/s1
InChIKeyOWDSKIQIKQNRRR-NSHDSACASA-N
MW243.31 g/mol
LogP3.02
Rot. Bonds4

About (2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one

(2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one (PubChem CID 102416543) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one
PubChem CID102416543
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one
SMILESCCC[C@H](C)C(=O)n1ccc(-c2ccccn2)n1
InChIInChI=1S/C14H17N3O/c1-3-6-11(2)14(18)17-10-8-13(16-17)12-7-4-5-9-15-12/h4-5,7-11H,3,6H2,1-2H3/t11-/m0/s1
InChIKeyOWDSKIQIKQNRRR-NSHDSACASA-N
XLogP3.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-pyridin-2-ylpyrazol-1-yl)acetate
CID 11729213
2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
CID 154748583
propane;2-pyridin-2-ylpyridine
CID 158168510
ethane;2-(1-methylpyrazol-3-yl)pyridine
CID 145203642
2-octyl-6-pyridin-2-ylpyridazin-3-one
CID 70961886
4-propyl-2-pyridin-2-ylheptan-3-one
CID 82987035
3,3-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]butanamide
CID 90588258
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588265
4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588347
1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone
CID 174154263
calcium;3-acetylpentane-2,4-dione;hydride;2-pyridin-2-ylpyridine
CID 173092020
pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine
CID 69498944

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one?
The IUPAC name of (2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one (CID 102416543) is (2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one?
The canonical SMILES for (2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one is CCC[C@H](C)C(=O)n1ccc(-c2ccccn2)n1.
What is the InChIKey of (2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one?
The InChIKey is OWDSKIQIKQNRRR-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-6-11(2)14(18)17-10-8-13(16-17)12-7-4-5-9-15-12/h4-5,7-11H,3,6H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one?
(2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one has a molecular weight of 243.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(3-pyridin-2-ylpyrazol-1-yl)pentan-1-one is sourced from PubChem (CID 102416543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).