ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide

C14H20N4O2 — CID 144778788

IUPACethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCC.CC(=O)NCc1c(-c2ccncc2)[nH]n(C)c1=O
InChIInChI=1S/C12H14N4O2.C2H6/c1-8(17)14-7-10-11(15-16(2)12(10)18)9-3-5-13-6-4-9;1-2/h3-6,15H,7H2,1-2H3,(H,14,17);1-2H3
InChIKeyZGXGAXUDPBDMEL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.44
Rot. Bonds3

About ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide

ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 144778788) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID144778788
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nameethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCC.CC(=O)NCc1c(-c2ccncc2)[nH]n(C)c1=O
InChIInChI=1S/C12H14N4O2.C2H6/c1-8(17)14-7-10-11(15-16(2)12(10)18)9-3-5-13-6-4-9;1-2/h3-6,15H,7H2,1-2H3,(H,14,17);1-2H3
InChIKeyZGXGAXUDPBDMEL-UHFFFAOYSA-N
XLogP1.44
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide (CID 144778788) is ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide is CC.CC(=O)NCc1c(-c2ccncc2)[nH]n(C)c1=O.
What is the InChIKey of ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is ZGXGAXUDPBDMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.C2H6/c1-8(17)14-7-10-11(15-16(2)12(10)18)9-3-5-13-6-4-9;1-2/h3-6,15H,7H2,1-2H3,(H,14,17);1-2H3.
What are the key properties of ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide?
ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2-methyl-3-oxo-5-pyridin-4-yl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 144778788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).