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

C19H13ClN4O2 — CID 11726315

IUPAC7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(Nc3ccccc3)n2n1
InChIInChI=1S/C19H13ClN4O2/c20-13-8-6-12(7-9-13)15-10-17(21-14-4-2-1-3-5-14)24-18(22-15)11-16(23-24)19(25)26/h1-11,21H,(H,25,26)
InChIKeyKEKJFNWAVGCQHT-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.49
Rot. Bonds4

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

7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 11726315) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID11726315
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(Nc3ccccc3)n2n1
InChIInChI=1S/C19H13ClN4O2/c20-13-8-6-12(7-9-13)15-10-17(21-14-4-2-1-3-5-14)24-18(22-15)11-16(23-24)19(25)26/h1-11,21H,(H,25,26)
InChIKeyKEKJFNWAVGCQHT-UHFFFAOYSA-N
XLogP4.49
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 11726315) is 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(Nc3ccccc3)n2n1.
What is the InChIKey of 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is KEKJFNWAVGCQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-13-8-6-12(7-9-13)15-10-17(21-14-4-2-1-3-5-14)24-18(22-15)11-16(23-24)19(25)26/h1-11,21H,(H,25,26).
What are the key properties of 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 364.79 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 11726315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).