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

C9H8N4O3 — CID 63842384

IUPAC3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2c(C(N)=O)cnn2cc1C(=O)O
InChIInChI=1S/C9H8N4O3/c1-4-6(9(15)16)3-13-8(12-4)5(2-11-13)7(10)14/h2-3H,1H3,(H2,10,14)(H,15,16)
InChIKeyNKJAGFDEPDGTGG-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.17
Rot. Bonds2

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

3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 63842384) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID63842384
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2c(C(N)=O)cnn2cc1C(=O)O
InChIInChI=1S/C9H8N4O3/c1-4-6(9(15)16)3-13-8(12-4)5(2-11-13)7(10)14/h2-3H,1H3,(H2,10,14)(H,15,16)
InChIKeyNKJAGFDEPDGTGG-UHFFFAOYSA-N
XLogP-0.17
TPSA110.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 63842384) is 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1nc2c(C(N)=O)cnn2cc1C(=O)O.
What is the InChIKey of 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is NKJAGFDEPDGTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-4-6(9(15)16)3-13-8(12-4)5(2-11-13)7(10)14/h2-3H,1H3,(H2,10,14)(H,15,16).
What are the key properties of 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 220.19 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 63842384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).