4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid

C8H6BrN3O2 — CID 91658823

IUPAC4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1cn2nc(C(=O)O)cc2c(Br)n1
InChIInChI=1S/C8H6BrN3O2/c1-4-3-12-6(7(9)10-4)2-5(11-12)8(13)14/h2-3H,1H3,(H,13,14)
InChIKeyTXXSBANFEFKALP-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.50
Rot. Bonds1

About 4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid

4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 91658823) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID91658823
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1cn2nc(C(=O)O)cc2c(Br)n1
InChIInChI=1S/C8H6BrN3O2/c1-4-3-12-6(7(9)10-4)2-5(11-12)8(13)14/h2-3H,1H3,(H,13,14)
InChIKeyTXXSBANFEFKALP-UHFFFAOYSA-N
XLogP1.50
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 83815773
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CID 83824877
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CID 91659172
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CID 139026668
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CID 83487986
CID 83487986
CID 125512897
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CID 127018736
CID 127018736

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 91658823) is 4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid is Cc1cn2nc(C(=O)O)cc2c(Br)n1.
What is the InChIKey of 4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is TXXSBANFEFKALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-4-3-12-6(7(9)10-4)2-5(11-12)8(13)14/h2-3H,1H3,(H,13,14).
What are the key properties of 4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 256.06 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 91658823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).