2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid

C14H12N4O2 — CID 104729535

IUPAC2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid
SMILESCc1ccc(Nc2nccn3nccc23)cc1C(=O)O
InChIInChI=1S/C14H12N4O2/c1-9-2-3-10(8-11(9)14(19)20)17-13-12-4-5-16-18(12)7-6-15-13/h2-8H,1H3,(H,15,17)(H,19,20)
InChIKeyLLGXRAGOSJKACP-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.48
Rot. Bonds3

About 2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid

2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid (PubChem CID 104729535) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid
PubChem CID104729535
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid
SMILESCc1ccc(Nc2nccn3nccc23)cc1C(=O)O
InChIInChI=1S/C14H12N4O2/c1-9-2-3-10(8-11(9)14(19)20)17-13-12-4-5-16-18(12)7-6-15-13/h2-8H,1H3,(H,15,17)(H,19,20)
InChIKeyLLGXRAGOSJKACP-UHFFFAOYSA-N
XLogP2.48
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid
CID 104729459
2-methyl-5-[(1-methylimidazol-2-yl)amino]benzoic acid
CID 55244261
5-[(3-carbamoylpyrazin-2-yl)amino]-2-methylbenzoic acid
CID 63653354
3-chloro-4-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid
CID 104729560
2-methyl-5-[(2-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653352
2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
CID 83065152
2-methyl-5-(quinazolin-4-ylamino)benzoic acid
CID 63652827
2-methyl-5-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653356
2-methyl-5-(2,4,6-trimethylanilino)benzoic acid
CID 155290586
2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid
CID 63654743
2-methyl-4-[(1-methylimidazol-2-yl)amino]benzoic acid
CID 62131138
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid?
The IUPAC name of 2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid (CID 104729535) is 2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid.
What is the SMILES notation for 2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid?
The canonical SMILES for 2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid is Cc1ccc(Nc2nccn3nccc23)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid?
The InChIKey is LLGXRAGOSJKACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-2-3-10(8-11(9)14(19)20)17-13-12-4-5-16-18(12)7-6-15-13/h2-8H,1H3,(H,15,17)(H,19,20).
What are the key properties of 2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid?
2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid has a molecular weight of 268.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyrazolo[1,5-a]pyrazin-4-ylamino)benzoic acid is sourced from PubChem (CID 104729535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).