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

C11H11F2N3O4 — CID 142491553

IUPAC2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCO[C@@H](C)c1c(C(=O)O)cnc2cc(OC(F)F)nn12
InChIInChI=1S/C11H11F2N3O4/c1-5(19-2)9-6(10(17)18)4-14-7-3-8(15-16(7)9)20-11(12)13/h3-5,11H,1-2H3,(H,17,18)/t5-/m0/s1
InChIKeyPQIGMRVBZZZXNT-YFKPBYRVSA-N
MW287.22 g/mol
LogP1.74
Rot. Bonds5

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

2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 142491553) has the molecular formula C11H11F2N3O4 and a molecular weight of 287.22 g/mol. Its IUPAC name is 2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID142491553
Molecular FormulaC11H11F2N3O4
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC Name2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCO[C@@H](C)c1c(C(=O)O)cnc2cc(OC(F)F)nn12
InChIInChI=1S/C11H11F2N3O4/c1-5(19-2)9-6(10(17)18)4-14-7-3-8(15-16(7)9)20-11(12)13/h3-5,11H,1-2H3,(H,17,18)/t5-/m0/s1
InChIKeyPQIGMRVBZZZXNT-YFKPBYRVSA-N
XLogP1.74
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 142491553) is 2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CO[C@@H](C)c1c(C(=O)O)cnc2cc(OC(F)F)nn12.
What is the InChIKey of 2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is PQIGMRVBZZZXNT-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H11F2N3O4/c1-5(19-2)9-6(10(17)18)4-14-7-3-8(15-16(7)9)20-11(12)13/h3-5,11H,1-2H3,(H,17,18)/t5-/m0/s1.
What are the key properties of 2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 287.22 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 142491553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).