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

C12H14FN3O3 — CID 129117287

IUPAC2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOC(c1c(C(=O)O)cnc2cc(F)nn12)C(C)C
InChIInChI=1S/C12H14FN3O3/c1-6(2)11(19-3)10-7(12(17)18)5-14-9-4-8(13)15-16(9)10/h4-6,11H,1-3H3,(H,17,18)
InChIKeyKZXMJCRWTMDKNU-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.91
Rot. Bonds4

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

2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 129117287) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID129117287
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOC(c1c(C(=O)O)cnc2cc(F)nn12)C(C)C
InChIInChI=1S/C12H14FN3O3/c1-6(2)11(19-3)10-7(12(17)18)5-14-9-4-8(13)15-16(9)10/h4-6,11H,1-3H3,(H,17,18)
InChIKeyKZXMJCRWTMDKNU-UHFFFAOYSA-N
XLogP1.91
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.91
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-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 129117287) is 2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is COC(c1c(C(=O)O)cnc2cc(F)nn12)C(C)C.
What is the InChIKey of 2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is KZXMJCRWTMDKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-6(2)11(19-3)10-7(12(17)18)5-14-9-4-8(13)15-16(9)10/h4-6,11H,1-3H3,(H,17,18).
What are the key properties of 2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-(1-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 129117287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).