6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C9H6N4O2 — CID 130047318

IUPAC6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1c(C(=O)O)nn2cc(C#N)cnc12
InChIInChI=1S/C9H6N4O2/c1-5-7(9(14)15)12-13-4-6(2-10)3-11-8(5)13/h3-4H,1H3,(H,14,15)
InChIKeyRFEYYDSCYVOMNM-UHFFFAOYSA-N
MW202.17 g/mol
LogP0.61
Rot. Bonds1

About 6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 130047318) has the molecular formula C9H6N4O2 and a molecular weight of 202.17 g/mol. Its IUPAC name is 6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID130047318
Molecular FormulaC9H6N4O2
Molecular Weight202.17 g/mol
Exact Mass202.05
IUPAC Name6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1c(C(=O)O)nn2cc(C#N)cnc12
InChIInChI=1S/C9H6N4O2/c1-5-7(9(14)15)12-13-4-6(2-10)3-11-8(5)13/h3-4H,1H3,(H,14,15)
InChIKeyRFEYYDSCYVOMNM-UHFFFAOYSA-N
XLogP0.61
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 130047318) is 6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1c(C(=O)O)nn2cc(C#N)cnc12.
What is the InChIKey of 6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is RFEYYDSCYVOMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2/c1-5-7(9(14)15)12-13-4-6(2-10)3-11-8(5)13/h3-4H,1H3,(H,14,15).
What are the key properties of 6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 202.17 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 130047318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).