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

C8H6ClN3O2 — CID 121320776

IUPAC5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(Cl)nc2c(C(=O)O)cnn12
InChIInChI=1S/C8H6ClN3O2/c1-4-2-6(9)11-7-5(8(13)14)3-10-12(4)7/h2-3H,1H3,(H,13,14)
InChIKeyCCCOKESGSUWSQT-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.39
Rot. Bonds1

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

5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 121320776) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID121320776
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(Cl)nc2c(C(=O)O)cnn12
InChIInChI=1S/C8H6ClN3O2/c1-4-2-6(9)11-7-5(8(13)14)3-10-12(4)7/h2-3H,1H3,(H,13,14)
InChIKeyCCCOKESGSUWSQT-UHFFFAOYSA-N
XLogP1.39
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 121320776) is 5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1cc(Cl)nc2c(C(=O)O)cnn12.
What is the InChIKey of 5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is CCCOKESGSUWSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-4-2-6(9)11-7-5(8(13)14)3-10-12(4)7/h2-3H,1H3,(H,13,14).
What are the key properties of 5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 211.61 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 121320776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).