2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid

C15H20N4O2 — CID 79826609

IUPAC2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid
SMILESCCc1nn(-c2cc(C)nc(C)n2)c(CC)c1CC(=O)O
InChIInChI=1S/C15H20N4O2/c1-5-12-11(8-15(20)21)13(6-2)19(18-12)14-7-9(3)16-10(4)17-14/h7H,5-6,8H2,1-4H3,(H,20,21)
InChIKeyWWORIVSRJJLKGK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid

2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid (PubChem CID 79826609) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid
PubChem CID79826609
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid
SMILESCCc1nn(-c2cc(C)nc(C)n2)c(CC)c1CC(=O)O
InChIInChI=1S/C15H20N4O2/c1-5-12-11(8-15(20)21)13(6-2)19(18-12)14-7-9(3)16-10(4)17-14/h7H,5-6,8H2,1-4H3,(H,20,21)
InChIKeyWWORIVSRJJLKGK-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid (CID 79826609) is 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid is CCc1nn(-c2cc(C)nc(C)n2)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid?
The InChIKey is WWORIVSRJJLKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-5-12-11(8-15(20)21)13(6-2)19(18-12)14-7-9(3)16-10(4)17-14/h7H,5-6,8H2,1-4H3,(H,20,21).
What are the key properties of 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid?
2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 79826609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).