2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H10ClN3O4 — CID 129072246

IUPAC2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2cc(Cl)nn2c1C1COCCO1
InChIInChI=1S/C11H10ClN3O4/c12-8-3-9-13-4-6(11(16)17)10(15(9)14-8)7-5-18-1-2-19-7/h3-4,7H,1-2,5H2,(H,16,17)
InChIKeyYWFKJVHNHGAYFK-UHFFFAOYSA-N
MW283.67 g/mol
LogP1.17
Rot. Bonds2

About 2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 129072246) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is 2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID129072246
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Name2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2cc(Cl)nn2c1C1COCCO1
InChIInChI=1S/C11H10ClN3O4/c12-8-3-9-13-4-6(11(16)17)10(15(9)14-8)7-5-18-1-2-19-7/h3-4,7H,1-2,5H2,(H,16,17)
InChIKeyYWFKJVHNHGAYFK-UHFFFAOYSA-N
XLogP1.17
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 129072246) is 2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is O=C(O)c1cnc2cc(Cl)nn2c1C1COCCO1.
What is the InChIKey of 2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is YWFKJVHNHGAYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4/c12-8-3-9-13-4-6(11(16)17)10(15(9)14-8)7-5-18-1-2-19-7/h3-4,7H,1-2,5H2,(H,16,17).
What are the key properties of 2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 283.67 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 129072246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).