3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid

C14H11N3O3 — CID 104733247

IUPAC3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
SMILESCc1cc2c(Oc3cccc(C(=O)O)c3)nccn2n1
InChIInChI=1S/C14H11N3O3/c1-9-7-12-13(15-5-6-17(12)16-9)20-11-4-2-3-10(8-11)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyGYCVECDGZBPBIK-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.53
Rot. Bonds3

About 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid

3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid (PubChem CID 104733247) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
PubChem CID104733247
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
SMILESCc1cc2c(Oc3cccc(C(=O)O)c3)nccn2n1
InChIInChI=1S/C14H11N3O3/c1-9-7-12-13(15-5-6-17(12)16-9)20-11-4-2-3-10(8-11)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyGYCVECDGZBPBIK-UHFFFAOYSA-N
XLogP2.53
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
CID 104733266
5-pyrazolo[1,5-a]pyrazin-4-yloxypyridine-3-carboxylic acid
CID 104733277
N-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732962
2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732194
2-methyl-6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732175
3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 107717892
4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine
CID 104730236
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
3-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 61395653
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzoic acid
CID 104729300
3-[(2-chloro-3-pyridinyl)oxy]benzoic acid
CID 71564649
4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine
CID 104730194

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid?
The IUPAC name of 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid (CID 104733247) is 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid.
What is the SMILES notation for 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid?
The canonical SMILES for 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid is Cc1cc2c(Oc3cccc(C(=O)O)c3)nccn2n1.
What is the InChIKey of 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid?
The InChIKey is GYCVECDGZBPBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9-7-12-13(15-5-6-17(12)16-9)20-11-4-2-3-10(8-11)14(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid?
3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid has a molecular weight of 269.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid is sourced from PubChem (CID 104733247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).