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

C13H8ClN3O2 — CID 25247724

IUPAC3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2c(Cl)cnn12
InChIInChI=1S/C13H8ClN3O2/c14-9-7-15-17-11(13(18)19)6-10(16-12(9)17)8-4-2-1-3-5-8/h1-7H,(H,18,19)
InChIKeyIKAHBXDHMVWFSH-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.75
Rot. Bonds2

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

3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 25247724) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID25247724
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2c(Cl)cnn12
InChIInChI=1S/C13H8ClN3O2/c14-9-7-15-17-11(13(18)19)6-10(16-12(9)17)8-4-2-1-3-5-8/h1-7H,(H,18,19)
InChIKeyIKAHBXDHMVWFSH-UHFFFAOYSA-N
XLogP2.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 25247724) is 3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(O)c1cc(-c2ccccc2)nc2c(Cl)cnn12.
What is the InChIKey of 3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is IKAHBXDHMVWFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-9-7-15-17-11(13(18)19)6-10(16-12(9)17)8-4-2-1-3-5-8/h1-7H,(H,18,19).
What are the key properties of 3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 25247724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).