ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate

C11H12N4O2 — CID 170337369

IUPACethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ncccn2)nn1C
InChIInChI=1S/C11H12N4O2/c1-3-17-11(16)9-7-8(14-15(9)2)10-12-5-4-6-13-10/h4-7H,3H2,1-2H3
InChIKeyFRPMSOUITRFQMG-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.05
Rot. Bonds3

About ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate

ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate (PubChem CID 170337369) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate
PubChem CID170337369
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nameethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ncccn2)nn1C
InChIInChI=1S/C11H12N4O2/c1-3-17-11(16)9-7-8(14-15(9)2)10-12-5-4-6-13-10/h4-7H,3H2,1-2H3
InChIKeyFRPMSOUITRFQMG-UHFFFAOYSA-N
XLogP1.05
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methyl-3-pyrimidin-2-ylpyrazol-5-yl)ethanone
CID 170389543
ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 4083925
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
CID 59946948
ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
ethyl 1-methyl-3-(2-phenylmethoxyphenyl)pyrazole-5-carboxylate
CID 169144581
ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate
CID 14049154
ethyl 3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218066
ethyl 3-[2-(3-methoxyanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218244
ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate
CID 174197140
ethyl 3-(butan-2-ylcarbamoyl)-1-methylpyrazole-5-carboxylate
CID 19267074
ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate
CID 141290589

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate (CID 170337369) is ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ncccn2)nn1C.
What is the InChIKey of ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate?
The InChIKey is FRPMSOUITRFQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-3-17-11(16)9-7-8(14-15(9)2)10-12-5-4-6-13-10/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate?
ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 170337369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).