3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C8H6N4O3 — CID 71756737

IUPAC3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESNC(=O)c1cnn2c(C(=O)O)ccnc12
InChIInChI=1S/C8H6N4O3/c9-6(13)4-3-11-12-5(8(14)15)1-2-10-7(4)12/h1-3H,(H2,9,13)(H,14,15)
InChIKeyUCSHYAPSHZJSEA-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.47
Rot. Bonds2

About 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 71756737) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID71756737
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESNC(=O)c1cnn2c(C(=O)O)ccnc12
InChIInChI=1S/C8H6N4O3/c9-6(13)4-3-11-12-5(8(14)15)1-2-10-7(4)12/h1-3H,(H2,9,13)(H,14,15)
InChIKeyUCSHYAPSHZJSEA-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 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 71756737) is 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is NC(=O)c1cnn2c(C(=O)O)ccnc12.
What is the InChIKey of 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is UCSHYAPSHZJSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-6(13)4-3-11-12-5(8(14)15)1-2-10-7(4)12/h1-3H,(H2,9,13)(H,14,15).
What are the key properties of 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-carbamoylpyrazolo[1,5-a]pyrimidine-7-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 3-carbamoylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 71756737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).