2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C14H17N3O2 — CID 71683775

IUPAC2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)(C)c1cc2nc(C(=O)O)cc(C3CC3)n2n1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)11-7-12-15-9(13(18)19)6-10(8-4-5-8)17(12)16-11/h6-8H,4-5H2,1-3H3,(H,18,19)
InChIKeyASKUHEADDYDJPM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.60
Rot. Bonds2

About 2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 71683775) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID71683775
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)(C)c1cc2nc(C(=O)O)cc(C3CC3)n2n1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)11-7-12-15-9(13(18)19)6-10(8-4-5-8)17(12)16-11/h6-8H,4-5H2,1-3H3,(H,18,19)
InChIKeyASKUHEADDYDJPM-UHFFFAOYSA-N
XLogP2.60
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 71683775) is 2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)(C)c1cc2nc(C(=O)O)cc(C3CC3)n2n1.
What is the InChIKey of 2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is ASKUHEADDYDJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)11-7-12-15-9(13(18)19)6-10(8-4-5-8)17(12)16-11/h6-8H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 71683775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).