ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate

C12H14N4O3 — CID 850335

IUPACethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(OC)ncn2)c1C
InChIInChI=1S/C12H14N4O3/c1-4-19-12(17)9-6-15-16(8(9)2)10-5-11(18-3)14-7-13-10/h5-7H,4H2,1-3H3
InChIKeyCZEKLJZILIYCFW-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.16
Rot. Bonds4

About ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate

ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate (PubChem CID 850335) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate
PubChem CID850335
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Nameethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(OC)ncn2)c1C
InChIInChI=1S/C12H14N4O3/c1-4-19-12(17)9-6-15-16(8(9)2)10-5-11(18-3)14-7-13-10/h5-7H,4H2,1-3H3
InChIKeyCZEKLJZILIYCFW-UHFFFAOYSA-N
XLogP1.16
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrazophos
CID 26033
Ethyl 3-cyano-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 698967
Ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736420
methyl 1-(4,6-dimethoxy-2-pyrimidinyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 850332
ethyl 1-(4,6-dimethoxy-2-pyrimidinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 850359
Ethyl 3-cyano-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 699040
ethyl 1-(4,6-diethoxy-2-pyrimidinyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 850333
Methyl 2-[4-ethoxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 2809127
Ethyl 7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 12173864
ethyl 7-[(E)-2-(dimethylamino)vinyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 11777381
Pyrazophos oxon
CID 129693316
Ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 15187836

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate (CID 850335) is ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(OC)ncn2)c1C.
What is the InChIKey of ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate?
The InChIKey is CZEKLJZILIYCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-4-19-12(17)9-6-15-16(8(9)2)10-5-11(18-3)14-7-13-10/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate?
ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 850335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).