3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C14H12N4O2 — CID 104617872

IUPAC3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCc1cnn2c(C(=O)O)cc(-c3ccncc3)nc12
InChIInChI=1S/C14H12N4O2/c1-2-9-8-16-18-12(14(19)20)7-11(17-13(9)18)10-3-5-15-6-4-10/h3-8H,2H2,1H3,(H,19,20)
InChIKeySZHBXFVXBJJYLE-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.05
Rot. Bonds3

About 3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 104617872) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID104617872
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCc1cnn2c(C(=O)O)cc(-c3ccncc3)nc12
InChIInChI=1S/C14H12N4O2/c1-2-9-8-16-18-12(14(19)20)7-11(17-13(9)18)10-3-5-15-6-4-10/h3-8H,2H2,1H3,(H,19,20)
InChIKeySZHBXFVXBJJYLE-UHFFFAOYSA-N
XLogP2.05
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
1-butan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16790291
2-ethyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617789
7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 22309024
3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29091407
methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916288
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3497409
5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid
CID 90791486
1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16782401
4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 11221666
2,6-dipyridin-4-ylpyridine-4-carboxylic acid
CID 46316682

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 104617872) is 3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is CCc1cnn2c(C(=O)O)cc(-c3ccncc3)nc12.
What is the InChIKey of 3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is SZHBXFVXBJJYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-2-9-8-16-18-12(14(19)20)7-11(17-13(9)18)10-3-5-15-6-4-10/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 104617872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).