5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid

C15H13N3O3 — CID 104733266

IUPAC5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
SMILESCc1ccc(Oc2nccn3nc(C)cc23)c(C(=O)O)c1
InChIInChI=1S/C15H13N3O3/c1-9-3-4-13(11(7-9)15(19)20)21-14-12-8-10(2)17-18(12)6-5-16-14/h3-8H,1-2H3,(H,19,20)
InChIKeyMHQBLEYGTNKKOI-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.84
Rot. Bonds3

About 5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid

5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid (PubChem CID 104733266) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
PubChem CID104733266
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
SMILESCc1ccc(Oc2nccn3nc(C)cc23)c(C(=O)O)c1
InChIInChI=1S/C15H13N3O3/c1-9-3-4-13(11(7-9)15(19)20)21-14-12-8-10(2)17-18(12)6-5-16-14/h3-8H,1-2H3,(H,19,20)
InChIKeyMHQBLEYGTNKKOI-UHFFFAOYSA-N
XLogP2.84
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
CID 104733247
2-methyl-6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732175
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline
CID 104732214
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine
CID 104730236
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732194
2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)acetic acid
CID 104734412
5-methyl-2-pyridazin-3-yloxybenzoic acid
CID 62481837
2-imidazo[1,2-a]pyridin-5-yl-5-methylbenzoic acid
CID 102626289

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid?
The IUPAC name of 5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid (CID 104733266) is 5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid.
What is the SMILES notation for 5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid?
The canonical SMILES for 5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid is Cc1ccc(Oc2nccn3nc(C)cc23)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid?
The InChIKey is MHQBLEYGTNKKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-3-4-13(11(7-9)15(19)20)21-14-12-8-10(2)17-18(12)6-5-16-14/h3-8H,1-2H3,(H,19,20).
What are the key properties of 5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid?
5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid is sourced from PubChem (CID 104733266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).