methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate

C14H18N4O2 — CID 65296261

IUPACmethyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1c(C)nn(-c2ncccn2)c1C
InChIInChI=1S/C14H18N4O2/c1-9(13(19)20-4)8-12-10(2)17-18(11(12)3)14-15-6-5-7-16-14/h5-7,9H,8H2,1-4H3
InChIKeyQOWPJNOOKZIMDJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.63
Rot. Bonds4

About methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate

methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate (PubChem CID 65296261) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate
PubChem CID65296261
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1c(C)nn(-c2ncccn2)c1C
InChIInChI=1S/C14H18N4O2/c1-9(13(19)20-4)8-12-10(2)17-18(11(12)3)14-15-6-5-7-16-14/h5-7,9H,8H2,1-4H3
InChIKeyQOWPJNOOKZIMDJ-UHFFFAOYSA-N
XLogP1.63
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate (CID 65296261) is methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate is COC(=O)C(C)Cc1c(C)nn(-c2ncccn2)c1C.
What is the InChIKey of methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate?
The InChIKey is QOWPJNOOKZIMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(13(19)20-4)8-12-10(2)17-18(11(12)3)14-15-6-5-7-16-14/h5-7,9H,8H2,1-4H3.
What are the key properties of methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate?
methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate has a molecular weight of 274.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoate is sourced from PubChem (CID 65296261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).