3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C9H8ClN3O3 — CID 1096895

IUPAC3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nn2cc(CCO)cnc2c1Cl
InChIInChI=1S/C9H8ClN3O3/c10-6-7(9(15)16)12-13-4-5(1-2-14)3-11-8(6)13/h3-4,14H,1-2H2,(H,15,16)
InChIKeyDJSHWXLZXVHQLZ-UHFFFAOYSA-N
MW241.63 g/mol
LogP0.62
Rot. Bonds3

About 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 1096895) has the molecular formula C9H8ClN3O3 and a molecular weight of 241.63 g/mol. Its IUPAC name is 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID1096895
Molecular FormulaC9H8ClN3O3
Molecular Weight241.63 g/mol
Exact Mass241.03
IUPAC Name3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nn2cc(CCO)cnc2c1Cl
InChIInChI=1S/C9H8ClN3O3/c10-6-7(9(15)16)12-13-4-5(1-2-14)3-11-8(6)13/h3-4,14H,1-2H2,(H,15,16)
InChIKeyDJSHWXLZXVHQLZ-UHFFFAOYSA-N
XLogP0.62
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 1096895) is 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1nn2cc(CCO)cnc2c1Cl.
What is the InChIKey of 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is DJSHWXLZXVHQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3/c10-6-7(9(15)16)12-13-4-5(1-2-14)3-11-8(6)13/h3-4,14H,1-2H2,(H,15,16).
What are the key properties of 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 241.63 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 1096895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).