2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

C11H13N3O2 — CID 84786594

IUPAC2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCC(C)c1cc2ncc(CC(=O)O)cn2n1
InChIInChI=1S/C11H13N3O2/c1-7(2)9-4-10-12-5-8(3-11(15)16)6-14(10)13-9/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyNJOOIAWHUQPRPF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.48
Rot. Bonds3

About 2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 84786594) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID84786594
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCC(C)c1cc2ncc(CC(=O)O)cn2n1
InChIInChI=1S/C11H13N3O2/c1-7(2)9-4-10-12-5-8(3-11(15)16)6-14(10)13-9/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyNJOOIAWHUQPRPF-UHFFFAOYSA-N
XLogP1.48
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 84786594) is 2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is CC(C)c1cc2ncc(CC(=O)O)cn2n1.
What is the InChIKey of 2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is NJOOIAWHUQPRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)9-4-10-12-5-8(3-11(15)16)6-14(10)13-9/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 84786594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).