6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C7H4FN3O2 — CID 59152071

IUPAC6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(F)cnc12
InChIInChI=1S/C7H4FN3O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,(H,12,13)
InChIKeyJMJYLAGSNGCHNP-UHFFFAOYSA-N
MW181.13 g/mol
LogP0.57
Rot. Bonds1

About 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 59152071) has the molecular formula C7H4FN3O2 and a molecular weight of 181.13 g/mol. Its IUPAC name is 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID59152071
Molecular FormulaC7H4FN3O2
Molecular Weight181.13 g/mol
Exact Mass181.03
IUPAC Name6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(F)cnc12
InChIInChI=1S/C7H4FN3O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,(H,12,13)
InChIKeyJMJYLAGSNGCHNP-UHFFFAOYSA-N
XLogP0.57
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6485410
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1910189
7-Amino-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2774833
6-Bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 25220793
2-Methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 23091947
Ethyl 6-formylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 46779155
Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 19883261
7-Amino[1.2.4]triazolo[1.5-a]pyrimidine-6-carboxylic acid
CID 25219471
6-Carbamoylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 66664490
5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71627116
6-Cyanopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71741943
Pyrazolo(1,5-a)pyrimidine-3-carboxaldehyde, 6-methyl-
CID 83815717

Frequently Asked Questions

What is the IUPAC name of 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 59152071) is 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2cc(F)cnc12.
What is the InChIKey of 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is JMJYLAGSNGCHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,(H,12,13).
What are the key properties of 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 181.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 59152071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).