2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H11F2N3O2 — CID 150348481

IUPAC2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCC(C)c1c(C(=O)O)cnc2cc(C(F)F)nn12
InChIInChI=1S/C11H11F2N3O2/c1-5(2)9-6(11(17)18)4-14-8-3-7(10(12)13)15-16(8)9/h3-5,10H,1-2H3,(H,17,18)
InChIKeyGTFNBCZXILVWHA-UHFFFAOYSA-N
MW255.22 g/mol
LogP2.49
Rot. Bonds3

About 2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 150348481) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID150348481
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCC(C)c1c(C(=O)O)cnc2cc(C(F)F)nn12
InChIInChI=1S/C11H11F2N3O2/c1-5(2)9-6(11(17)18)4-14-8-3-7(10(12)13)15-16(8)9/h3-5,10H,1-2H3,(H,17,18)
InChIKeyGTFNBCZXILVWHA-UHFFFAOYSA-N
XLogP2.49
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 150348481) is 2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CC(C)c1c(C(=O)O)cnc2cc(C(F)F)nn12.
What is the InChIKey of 2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is GTFNBCZXILVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-5(2)9-6(11(17)18)4-14-8-3-7(10(12)13)15-16(8)9/h3-5,10H,1-2H3,(H,17,18).
What are the key properties of 2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 255.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 150348481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).