pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C7H5N3O2 — CID 28875802

IUPACpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1ccn2nccc2n1
InChIInChI=1S/C7H5N3O2/c11-7(12)5-2-4-10-6(9-5)1-3-8-10/h1-4H,(H,11,12)
InChIKeySBDWLDBGGVPVAR-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.43
Rot. Bonds1

About pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 28875802) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID28875802
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Namepyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1ccn2nccc2n1
InChIInChI=1S/C7H5N3O2/c11-7(12)5-2-4-10-6(9-5)1-3-8-10/h1-4H,(H,11,12)
InChIKeySBDWLDBGGVPVAR-UHFFFAOYSA-N
XLogP0.43
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 670824
6-Bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 771938
3-Chloropyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 3160253
2-Methyl-4-pyrimidinecarboxylic acid
CID 18676097
6-(2-Hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 1259795
5-Methylpyrazolo(1,5-a)pyrimidine-7-carboxylic acid
CID 29091059
Ethyl 3-cyanopyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 17535128
3-(Ethoxycarbonyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 71756736
2-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 3159636
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 7017531
3-Bromopyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 17024812
6-Methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 18524444

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 28875802) is pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1ccn2nccc2n1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is SBDWLDBGGVPVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-7(12)5-2-4-10-6(9-5)1-3-8-10/h1-4H,(H,11,12).
What are the key properties of pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 163.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 28875802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).