2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid

C12H14N4O2 — CID 55113103

IUPAC2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid
SMILESCc1nccc(-n2nc(C)c(CC(=O)O)c2C)n1
InChIInChI=1S/C12H14N4O2/c1-7-10(6-12(17)18)8(2)16(15-7)11-4-5-13-9(3)14-11/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyZEEOUWSZDXMTPU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.21
Rot. Bonds3

About 2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid

2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid (PubChem CID 55113103) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid
PubChem CID55113103
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid
SMILESCc1nccc(-n2nc(C)c(CC(=O)O)c2C)n1
InChIInChI=1S/C12H14N4O2/c1-7-10(6-12(17)18)8(2)16(15-7)11-4-5-13-9(3)14-11/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyZEEOUWSZDXMTPU-UHFFFAOYSA-N
XLogP1.21
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 71756922
2-[1-(5-bromopyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 63871923
3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-amine
CID 62771650
2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid
CID 114789669
2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 82132502
2-[3,5-dimethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 136989640
2-[3,5-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-yl]acetic acid
CID 65273456
2-[3,5-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 137007417
2-[1-[4-(hydroxycarbamoylamino)phenyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 175229448
2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 62929394
2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79149652
2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid
CID 65208615

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid (CID 55113103) is 2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid is Cc1nccc(-n2nc(C)c(CC(=O)O)c2C)n1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid?
The InChIKey is ZEEOUWSZDXMTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-10(6-12(17)18)8(2)16(15-7)11-4-5-13-9(3)14-11/h4-5H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid?
2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 55113103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).