methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate

C12H14N4O4 — CID 850332

IUPACmethyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2nc(OC)cc(OC)n2)c1C
InChIInChI=1S/C12H14N4O4/c1-7-8(11(17)20-4)6-13-16(7)12-14-9(18-2)5-10(15-12)19-3/h5-6H,1-4H3
InChIKeyQXKKPKJQOMADNG-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.77
Rot. Bonds4

About methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate

methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate (PubChem CID 850332) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate
PubChem CID850332
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Namemethyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2nc(OC)cc(OC)n2)c1C
InChIInChI=1S/C12H14N4O4/c1-7-8(11(17)20-4)6-13-16(7)12-14-9(18-2)5-10(15-12)19-3/h5-6H,1-4H3
InChIKeyQXKKPKJQOMADNG-UHFFFAOYSA-N
XLogP0.77
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-(4,6-dimethoxy-2-pyrimidinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 850359
ethyl 1-(4,6-diethoxy-2-pyrimidinyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 850333
Methyl 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 18174938
Ethyl 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 57963764
Ethyl 1-pyrimidin-2-yl-5-trifluoromethyl-1H-pyrazole-4-carboxylate
CID 59607162
ethyl 1-(7-fluoro-4-methoxy-5H-pyrrolo[3,4-d]pyrimidin-2-yl)pyrazole-4-carboxylate
CID 161261750
1-[1-(6-Methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
CID 850507
1-[1-(4,6-dimethoxy-2-pyrimidinyl)-5-methyl-1H-pyrazol-4-yl]ethanone
CID 850509
5-Ethoxycarbonyl-4-methyl-2-(1-pyrazolyl)-pyrimidine
CID 83181779
1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 167968739
Ethyl 1-(6-methoxypyrimidin-4-yl)-5-methylpyrazole-4-carboxylate
CID 850335
1-[1-(4-Methoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone
CID 15456376

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate (CID 850332) is methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate is COC(=O)c1cnn(-c2nc(OC)cc(OC)n2)c1C.
What is the InChIKey of methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate?
The InChIKey is QXKKPKJQOMADNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-7-8(11(17)20-4)6-13-16(7)12-14-9(18-2)5-10(15-12)19-3/h5-6H,1-4H3.
What are the key properties of methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate?
methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate has a molecular weight of 278.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 850332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).