3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C13H10N4O2 — CID 82381540

IUPAC3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESNc1c(C(=O)O)nn2cc(-c3ccccc3)cnc12
InChIInChI=1S/C13H10N4O2/c14-10-11(13(18)19)16-17-7-9(6-15-12(10)17)8-4-2-1-3-5-8/h1-7H,14H2,(H,18,19)
InChIKeyJYVZJVBNRQFRND-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.68
Rot. Bonds2

About 3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 82381540) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID82381540
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESNc1c(C(=O)O)nn2cc(-c3ccccc3)cnc12
InChIInChI=1S/C13H10N4O2/c14-10-11(13(18)19)16-17-7-9(6-15-12(10)17)8-4-2-1-3-5-8/h1-7H,14H2,(H,18,19)
InChIKeyJYVZJVBNRQFRND-UHFFFAOYSA-N
XLogP1.68
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 82381540) is 3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Nc1c(C(=O)O)nn2cc(-c3ccccc3)cnc12.
What is the InChIKey of 3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is JYVZJVBNRQFRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-10-11(13(18)19)16-17-7-9(6-15-12(10)17)8-4-2-1-3-5-8/h1-7H,14H2,(H,18,19).
What are the key properties of 3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 82381540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).