2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C10H11N3O2 — CID 105457173

IUPAC2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)c1cc2nc(C(=O)O)ccn2n1
InChIInChI=1S/C10H11N3O2/c1-6(2)8-5-9-11-7(10(14)15)3-4-13(9)12-8/h3-6H,1-2H3,(H,14,15)
InChIKeyZRFQVAYPZHKFRV-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.55
Rot. Bonds2

About 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 105457173) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID105457173
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)c1cc2nc(C(=O)O)ccn2n1
InChIInChI=1S/C10H11N3O2/c1-6(2)8-5-9-11-7(10(14)15)3-4-13(9)12-8/h3-6H,1-2H3,(H,14,15)
InChIKeyZRFQVAYPZHKFRV-UHFFFAOYSA-N
XLogP1.55
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 105457173) is 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)c1cc2nc(C(=O)O)ccn2n1.
What is the InChIKey of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is ZRFQVAYPZHKFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6(2)8-5-9-11-7(10(14)15)3-4-13(9)12-8/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 105457173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).