5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C19H12ClN3O2 — CID 15957967

IUPAC5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)cn2n1
InChIInChI=1S/C19H12ClN3O2/c20-14-8-6-13(7-9-14)18-15(12-4-2-1-3-5-12)11-23-17(21-18)10-16(22-23)19(24)25/h1-11H,(H,24,25)
InChIKeyMDAKAQUADKLJIK-UHFFFAOYSA-N
MW349.78 g/mol
LogP4.41
Rot. Bonds3

About 5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957967) has the molecular formula C19H12ClN3O2 and a molecular weight of 349.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957967
Molecular FormulaC19H12ClN3O2
Molecular Weight349.78 g/mol
Exact Mass349.06
IUPAC Name5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)cn2n1
InChIInChI=1S/C19H12ClN3O2/c20-14-8-6-13(7-9-14)18-15(12-4-2-1-3-5-12)11-23-17(21-18)10-16(22-23)19(24)25/h1-11H,(H,24,25)
InChIKeyMDAKAQUADKLJIK-UHFFFAOYSA-N
XLogP4.41
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957967) is 5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)cn2n1.
What is the InChIKey of 5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is MDAKAQUADKLJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2/c20-14-8-6-13(7-9-14)18-15(12-4-2-1-3-5-12)11-23-17(21-18)10-16(22-23)19(24)25/h1-11H,(H,24,25).
What are the key properties of 5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 349.78 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).