(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone

C12H13N3O — CID 114877629

IUPAC(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCCn1nccc1C(=O)c1cnccc1C
InChIInChI=1S/C12H13N3O/c1-3-15-11(5-7-14-15)12(16)10-8-13-6-4-9(10)2/h4-8H,3H2,1-2H3
InChIKeyLJCIPZOKJJBPMC-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.84
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone

(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 114877629) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone
PubChem CID114877629
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCCn1nccc1C(=O)c1cnccc1C
InChIInChI=1S/C12H13N3O/c1-3-15-11(5-7-14-15)12(16)10-8-13-6-4-9(10)2/h4-8H,3H2,1-2H3
InChIKeyLJCIPZOKJJBPMC-UHFFFAOYSA-N
XLogP1.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972434
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972479
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114972432
(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 63976130
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124905
(2-amino-4-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 64914209
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609
(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972423
(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 114877527
1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethanone
CID 63974223

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone (CID 114877629) is (2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone is CCn1nccc1C(=O)c1cnccc1C.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is LJCIPZOKJJBPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-15-11(5-7-14-15)12(16)10-8-13-6-4-9(10)2/h4-8H,3H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone?
(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 215.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 114877629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).