2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C10H10FN3O3 — CID 118540132

IUPAC2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOC(C)c1c(C(=O)O)cnc2cc(F)nn12
InChIInChI=1S/C10H10FN3O3/c1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9/h3-5H,1-2H3,(H,15,16)
InChIKeyARUHHJURAFZUJI-UHFFFAOYSA-N
MW239.21 g/mol
LogP1.27
Rot. Bonds3

About 2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 118540132) has the molecular formula C10H10FN3O3 and a molecular weight of 239.21 g/mol. Its IUPAC name is 2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID118540132
Molecular FormulaC10H10FN3O3
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Name2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOC(C)c1c(C(=O)O)cnc2cc(F)nn12
InChIInChI=1S/C10H10FN3O3/c1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9/h3-5H,1-2H3,(H,15,16)
InChIKeyARUHHJURAFZUJI-UHFFFAOYSA-N
XLogP1.27
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 118540132) is 2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is COC(C)c1c(C(=O)O)cnc2cc(F)nn12.
What is the InChIKey of 2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is ARUHHJURAFZUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3/c1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 239.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 118540132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).