(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone

C13H15N3O — CID 105098784

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCCc1cc(C(=O)c2ccc(C)nc2)n(C)n1
InChIInChI=1S/C13H15N3O/c1-4-11-7-12(16(3)15-11)13(17)10-6-5-9(2)14-8-10/h5-8H,4H2,1-3H3
InChIKeyIETBNTINYLKDRX-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.92
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone

(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 105098784) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID105098784
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCCc1cc(C(=O)c2ccc(C)nc2)n(C)n1
InChIInChI=1S/C13H15N3O/c1-4-11-7-12(16(3)15-11)13(17)10-6-5-9(2)14-8-10/h5-8H,4H2,1-3H3
InChIKeyIETBNTINYLKDRX-UHFFFAOYSA-N
XLogP1.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085414
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methanone
CID 103133864
(4-cyclopropyloxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105134334
(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291305
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105100921
(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone
CID 105081218
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
CID 107976815
(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128341
4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid
CID 66121497
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone (CID 105098784) is (3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone is CCc1cc(C(=O)c2ccc(C)nc2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is IETBNTINYLKDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-4-11-7-12(16(3)15-11)13(17)10-6-5-9(2)14-8-10/h5-8H,4H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone?
(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 229.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105098784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).