7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H11F2N3O3 — CID 142491531

IUPAC7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2ncc(C(=O)O)c([C@H](C)OC(F)F)n2n1
InChIInChI=1S/C11H11F2N3O3/c1-5-3-8-14-4-7(10(17)18)9(16(8)15-5)6(2)19-11(12)13/h3-4,6,11H,1-2H3,(H,17,18)/t6-/m0/s1
InChIKeyYUZXSIQVUFBFND-LURJTMIESA-N
MW271.22 g/mol
LogP2.04
Rot. Bonds4

About 7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 142491531) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID142491531
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC Name7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2ncc(C(=O)O)c([C@H](C)OC(F)F)n2n1
InChIInChI=1S/C11H11F2N3O3/c1-5-3-8-14-4-7(10(17)18)9(16(8)15-5)6(2)19-11(12)13/h3-4,6,11H,1-2H3,(H,17,18)/t6-/m0/s1
InChIKeyYUZXSIQVUFBFND-LURJTMIESA-N
XLogP2.04
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 142491531) is 7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1cc2ncc(C(=O)O)c([C@H](C)OC(F)F)n2n1.
What is the InChIKey of 7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is YUZXSIQVUFBFND-LURJTMIESA-N. The full InChI is InChI=1S/C11H11F2N3O3/c1-5-3-8-14-4-7(10(17)18)9(16(8)15-5)6(2)19-11(12)13/h3-4,6,11H,1-2H3,(H,17,18)/t6-/m0/s1.
What are the key properties of 7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 271.22 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-(difluoromethoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 142491531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).