7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C12H11N5O2 — CID 4774543

IUPAC7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1c(-c2ccnc3cc(C(=O)O)nn23)cnn1C
InChIInChI=1S/C12H11N5O2/c1-7-8(6-14-16(7)2)10-3-4-13-11-5-9(12(18)19)15-17(10)11/h3-6H,1-2H3,(H,18,19)
InChIKeyZKGJXIZZNSDXSY-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.14
Rot. Bonds2

About 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 4774543) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID4774543
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1c(-c2ccnc3cc(C(=O)O)nn23)cnn1C
InChIInChI=1S/C12H11N5O2/c1-7-8(6-14-16(7)2)10-3-4-13-11-5-9(12(18)19)15-17(10)11/h3-6H,1-2H3,(H,18,19)
InChIKeyZKGJXIZZNSDXSY-UHFFFAOYSA-N
XLogP1.14
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 4774543) is 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1c(-c2ccnc3cc(C(=O)O)nn23)cnn1C.
What is the InChIKey of 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is ZKGJXIZZNSDXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-7-8(6-14-16(7)2)10-3-4-13-11-5-9(12(18)19)15-17(10)11/h3-6H,1-2H3,(H,18,19).
What are the key properties of 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 4774543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).