2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid

C10H10ClN3O2 — CID 84727947

IUPAC2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C10H10ClN3O2/c1-10(2,9(15)16)7-3-8-12-4-6(11)5-14(8)13-7/h3-5H,1-2H3,(H,15,16)
InChIKeyCHDXSYGRUNYFOV-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.74
Rot. Bonds2

About 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid

2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid (PubChem CID 84727947) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid
PubChem CID84727947
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C10H10ClN3O2/c1-10(2,9(15)16)7-3-8-12-4-6(11)5-14(8)13-7/h3-5H,1-2H3,(H,15,16)
InChIKeyCHDXSYGRUNYFOV-UHFFFAOYSA-N
XLogP1.74
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid (CID 84727947) is 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid?
The InChIKey is CHDXSYGRUNYFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-10(2,9(15)16)7-3-8-12-4-6(11)5-14(8)13-7/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid?
2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid has a molecular weight of 239.66 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84727947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).