ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone

C20H24N4O3 — CID 159485305

IUPACethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone
SMILESCC(=O)c1ccccn1.CCOC(C)=O.Cc1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H9N3.C7H7NO.C4H8O2/c1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-6(9)7-4-2-3-5-8-7;1-3-6-4(2)5/h2-6H,1H3,(H,11,12);2-5H,1H3;3H2,1-2H3
InChIKeyLXMUGHDZYLFIAC-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.63
Rot. Bonds3

About ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone

ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone (PubChem CID 159485305) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone.

Molecular Properties

Compound Nameethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone
PubChem CID159485305
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone
SMILESCC(=O)c1ccccn1.CCOC(C)=O.Cc1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H9N3.C7H7NO.C4H8O2/c1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-6(9)7-4-2-3-5-8-7;1-3-6-4(2)5/h2-6H,1H3,(H,11,12);2-5H,1H3;3H2,1-2H3
InChIKeyLXMUGHDZYLFIAC-UHFFFAOYSA-N
XLogP3.63
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone?
The IUPAC name of ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone (CID 159485305) is ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone.
What is the SMILES notation for ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone?
The canonical SMILES for ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone is CC(=O)c1ccccn1.CCOC(C)=O.Cc1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone?
The InChIKey is LXMUGHDZYLFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.C7H7NO.C4H8O2/c1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-6(9)7-4-2-3-5-8-7;1-3-6-4(2)5/h2-6H,1H3,(H,11,12);2-5H,1H3;3H2,1-2H3.
What are the key properties of ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone?
ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone has a molecular weight of 368.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;2-(5-methyl-1H-pyrazol-3-yl)pyridine;1-pyridin-2-ylethanone is sourced from PubChem (CID 159485305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).