2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid

C22H19N3O3 — CID 66693255

IUPAC2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESCc1ccc(-c2c(C(O)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C22H19N3O3/c1-13-8-10-16(11-9-13)20-19(21(26)22(27)28)14(2)23-18-12-17(24-25(18)20)15-6-4-3-5-7-15/h3-12,21,26H,1-2H3,(H,27,28)
InChIKeyPBRWJKYEARJTLN-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.80
Rot. Bonds4

About 2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid

2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid (PubChem CID 66693255) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
PubChem CID66693255
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESCc1ccc(-c2c(C(O)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C22H19N3O3/c1-13-8-10-16(11-9-13)20-19(21(26)22(27)28)14(2)23-18-12-17(24-25(18)20)15-6-4-3-5-7-15/h3-12,21,26H,1-2H3,(H,27,28)
InChIKeyPBRWJKYEARJTLN-UHFFFAOYSA-N
XLogP3.80
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid (CID 66693255) is 2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid is Cc1ccc(-c2c(C(O)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cc1.
What is the InChIKey of 2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The InChIKey is PBRWJKYEARJTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-13-8-10-16(11-9-13)20-19(21(26)22(27)28)14(2)23-18-12-17(24-25(18)20)15-6-4-3-5-7-15/h3-12,21,26H,1-2H3,(H,27,28).
What are the key properties of 2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[5-methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 66693255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).