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

C9H8ClN3O2 — CID 165081968

IUPAC5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCc1cc(Cl)nc2c(C(=O)O)cnn12
InChIInChI=1S/C9H8ClN3O2/c1-2-5-3-7(10)12-8-6(9(14)15)4-11-13(5)8/h3-4H,2H2,1H3,(H,14,15)
InChIKeyGMHSNYQMHKDEGZ-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.64
Rot. Bonds2

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

5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 165081968) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.63 g/mol. Its IUPAC name is 5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID165081968
Molecular FormulaC9H8ClN3O2
Molecular Weight225.63 g/mol
Exact Mass225.03
IUPAC Name5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCc1cc(Cl)nc2c(C(=O)O)cnn12
InChIInChI=1S/C9H8ClN3O2/c1-2-5-3-7(10)12-8-6(9(14)15)4-11-13(5)8/h3-4H,2H2,1H3,(H,14,15)
InChIKeyGMHSNYQMHKDEGZ-UHFFFAOYSA-N
XLogP1.64
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121320776
5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid
CID 90791486
(3,5-dichloropyrazolo[1,5-a]pyrimidin-7-yl)carbamic acid
CID 175823311
2,6-dichloro-3-ethylpyridine-4-carboxylic acid
CID 87771244
5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 175446476
6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 171067304
6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 169206112
5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 53212228
3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 104619442
CID 131986712
CID 131986712
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141272199

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 165081968) is 5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CCc1cc(Cl)nc2c(C(=O)O)cnn12.
What is the InChIKey of 5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is GMHSNYQMHKDEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-2-5-3-7(10)12-8-6(9(14)15)4-11-13(5)8/h3-4H,2H2,1H3,(H,14,15).
What are the key properties of 5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 225.63 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 165081968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).