3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid

C13H16N4O2 — CID 65296262

IUPAC3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid
SMILESCc1nn(-c2ncccn2)c(C)c1CC(C)C(=O)O
InChIInChI=1S/C13H16N4O2/c1-8(12(18)19)7-11-9(2)16-17(10(11)3)13-14-5-4-6-15-13/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyACQOPCHQZWSXDJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.54
Rot. Bonds4

About 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid

3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid (PubChem CID 65296262) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid
PubChem CID65296262
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid
SMILESCc1nn(-c2ncccn2)c(C)c1CC(C)C(=O)O
InChIInChI=1S/C13H16N4O2/c1-8(12(18)19)7-11-9(2)16-17(10(11)3)13-14-5-4-6-15-13/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyACQOPCHQZWSXDJ-UHFFFAOYSA-N
XLogP1.54
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid (CID 65296262) is 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid is Cc1nn(-c2ncccn2)c(C)c1CC(C)C(=O)O.
What is the InChIKey of 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid?
The InChIKey is ACQOPCHQZWSXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(12(18)19)7-11-9(2)16-17(10(11)3)13-14-5-4-6-15-13/h4-6,8H,7H2,1-3H3,(H,18,19).
What are the key properties of 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid?
3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid has a molecular weight of 260.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 65296262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).