7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C20H15ClN4O2 — CID 10474820

IUPAC7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(NCc3ccccc3)n2n1
InChIInChI=1S/C20H15ClN4O2/c21-15-8-6-14(7-9-15)16-10-18(22-12-13-4-2-1-3-5-13)25-19(23-16)11-17(24-25)20(26)27/h1-11,22H,12H2,(H,26,27)
InChIKeyAHFPHYRBQWULOJ-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.36
Rot. Bonds5

About 7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 10474820) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID10474820
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(NCc3ccccc3)n2n1
InChIInChI=1S/C20H15ClN4O2/c21-15-8-6-14(7-9-15)16-10-18(22-12-13-4-2-1-3-5-13)25-19(23-16)11-17(24-25)20(26)27/h1-11,22H,12H2,(H,26,27)
InChIKeyAHFPHYRBQWULOJ-UHFFFAOYSA-N
XLogP4.36
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 10474820) is 7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(NCc3ccccc3)n2n1.
What is the InChIKey of 7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is AHFPHYRBQWULOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-15-8-6-14(7-9-15)16-10-18(22-12-13-4-2-1-3-5-13)25-19(23-16)11-17(24-25)20(26)27/h1-11,22H,12H2,(H,26,27).
What are the key properties of 7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 378.82 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 10474820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).