ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate

C14H16N4O3 — CID 39355013

IUPACethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2ncc(C(C)=O)c2C)nc1C
InChIInChI=1S/C14H16N4O3/c1-5-21-13(20)11-6-15-14(17-8(11)2)18-9(3)12(7-16-18)10(4)19/h6-7H,5H2,1-4H3
InChIKeyVGOZBSVTMHDSOD-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.66
Rot. Bonds4

About ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate

ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate (PubChem CID 39355013) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate
PubChem CID39355013
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Nameethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2ncc(C(C)=O)c2C)nc1C
InChIInChI=1S/C14H16N4O3/c1-5-21-13(20)11-6-15-14(17-8(11)2)18-9(3)12(7-16-18)10(4)19/h6-7H,5H2,1-4H3
InChIKeyVGOZBSVTMHDSOD-UHFFFAOYSA-N
XLogP1.66
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-methyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 46397674
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 5-methyl-1-(4-phenylmethoxypyrimidin-2-yl)pyrazole-4-carboxylate
CID 70030924
ethyl 2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-4-methylpyrimidine-5-carboxylate
CID 83180970
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 46739184
ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
CID 82192656
ethyl 1-[5-(hydroxymethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylate
CID 86692597
3-acetyl-5-ethoxycarbonyl-2-methylpyridine-4-carboxylic acid
CID 24973251
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate (CID 39355013) is ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2ncc(C(C)=O)c2C)nc1C.
What is the InChIKey of ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate?
The InChIKey is VGOZBSVTMHDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-5-21-13(20)11-6-15-14(17-8(11)2)18-9(3)12(7-16-18)10(4)19/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 39355013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).