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

C8H6N4O3 — CID 66664490

IUPAC6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNC(=O)c1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C8H6N4O3/c9-6(13)4-1-10-7-5(8(14)15)2-11-12(7)3-4/h1-3H,(H2,9,13)(H,14,15)
InChIKeyZYLIVCXNTPXFMJ-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.47
Rot. Bonds2

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

6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 66664490) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID66664490
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNC(=O)c1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C8H6N4O3/c9-6(13)4-1-10-7-5(8(14)15)2-11-12(7)3-4/h1-3H,(H2,9,13)(H,14,15)
InChIKeyZYLIVCXNTPXFMJ-UHFFFAOYSA-N
XLogP-0.47
TPSA110.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 66664490) is 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is NC(=O)c1cnc2c(C(=O)O)cnn2c1.
What is the InChIKey of 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is ZYLIVCXNTPXFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-6(13)4-1-10-7-5(8(14)15)2-11-12(7)3-4/h1-3H,(H2,9,13)(H,14,15).
What are the key properties of 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamoylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 66664490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).