6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C11H13N3O2 — CID 83917493

IUPAC6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)c1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C11H13N3O2/c1-11(2,3)7-4-12-9-8(10(15)16)5-13-14(9)6-7/h4-6H,1-3H3,(H,15,16)
InChIKeySAKHBLFODZOEKV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.73
Rot. Bonds1

About 6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 83917493) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID83917493
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)c1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C11H13N3O2/c1-11(2,3)7-4-12-9-8(10(15)16)5-13-14(9)6-7/h4-6H,1-3H3,(H,15,16)
InChIKeySAKHBLFODZOEKV-UHFFFAOYSA-N
XLogP1.73
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 83917493) is 6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)(C)c1cnc2c(C(=O)O)cnn2c1.
What is the InChIKey of 6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is SAKHBLFODZOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,3)7-4-12-9-8(10(15)16)5-13-14(9)6-7/h4-6H,1-3H3,(H,15,16).
What are the key properties of 6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 83917493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).