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

C19H13N3O2 — CID 771943

IUPAC5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C19H13N3O2/c23-19(24)16-12-18-20-15(13-7-3-1-4-8-13)11-17(22(18)21-16)14-9-5-2-6-10-14/h1-12H,(H,23,24)
InChIKeyMFCIBMPTHZCBFX-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.76
Rot. Bonds3

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

5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 771943) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID771943
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C19H13N3O2/c23-19(24)16-12-18-20-15(13-7-3-1-4-8-13)11-17(22(18)21-16)14-9-5-2-6-10-14/h1-12H,(H,23,24)
InChIKeyMFCIBMPTHZCBFX-UHFFFAOYSA-N
XLogP3.76
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 771943) is 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is MFCIBMPTHZCBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)16-12-18-20-15(13-7-3-1-4-8-13)11-17(22(18)21-16)14-9-5-2-6-10-14/h1-12H,(H,23,24).
What are the key properties of 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 771943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).