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

C10H11N3O2 — CID 82396338

IUPAC7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCC(C)c1ccnc2cc(C(=O)O)nn12
InChIInChI=1S/C10H11N3O2/c1-6(2)8-3-4-11-9-5-7(10(14)15)12-13(8)9/h3-6H,1-2H3,(H,14,15)
InChIKeyUXIYVRZFGKZRGV-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.55
Rot. Bonds2

About 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 82396338) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID82396338
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCC(C)c1ccnc2cc(C(=O)O)nn12
InChIInChI=1S/C10H11N3O2/c1-6(2)8-3-4-11-9-5-7(10(14)15)12-13(8)9/h3-6H,1-2H3,(H,14,15)
InChIKeyUXIYVRZFGKZRGV-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 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 82396338) is 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CC(C)c1ccnc2cc(C(=O)O)nn12.
What is the InChIKey of 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is UXIYVRZFGKZRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6(2)8-3-4-11-9-5-7(10(14)15)12-13(8)9/h3-6H,1-2H3,(H,14,15).
What are the key properties of 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-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 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 82396338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).