7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C13H9N3O2 — CID 6487614

IUPAC7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C13H9N3O2/c17-13(18)10-8-15-16-11(6-7-14-12(10)16)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKeyQHXFPNPRUFSDOL-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.09
Rot. Bonds2

About 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 6487614) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID6487614
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C13H9N3O2/c17-13(18)10-8-15-16-11(6-7-14-12(10)16)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKeyQHXFPNPRUFSDOL-UHFFFAOYSA-N
XLogP2.09
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 6487614) is 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is QHXFPNPRUFSDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)10-8-15-16-11(6-7-14-12(10)16)9-4-2-1-3-5-9/h1-8H,(H,17,18).
What are the key properties of 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 6487614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).