7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C13H7BrFN3O2 — CID 84610446

IUPAC7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)ccc2F)n2nccc2n1
InChIInChI=1S/C13H7BrFN3O2/c14-7-1-2-9(15)8(5-7)11-6-10(13(19)20)17-12-3-4-16-18(11)12/h1-6H,(H,19,20)
InChIKeyHYCIEHJUPDKVPN-UHFFFAOYSA-N
MW336.12 g/mol
LogP3.00
Rot. Bonds2

About 7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 84610446) has the molecular formula C13H7BrFN3O2 and a molecular weight of 336.12 g/mol. Its IUPAC name is 7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID84610446
Molecular FormulaC13H7BrFN3O2
Molecular Weight336.12 g/mol
Exact Mass334.97
IUPAC Name7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)ccc2F)n2nccc2n1
InChIInChI=1S/C13H7BrFN3O2/c14-7-1-2-9(15)8(5-7)11-6-10(13(19)20)17-12-3-4-16-18(11)12/h1-6H,(H,19,20)
InChIKeyHYCIEHJUPDKVPN-UHFFFAOYSA-N
XLogP3.00
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
3-Bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 807578
6-(3-Bromophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2123111
6-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248
6-(4-Fluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600249
6-(2,4-Difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600250
6-[4-(4-Bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600806
3-Bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 1068452
1-ethyl-6-phenyl-1H-pyrazolo(3,4-b)pyridine-4-carboxylic acid
CID 16227432
1-benzyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16227654
4-(4-Bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328410

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 84610446) is 7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(-c2cc(Br)ccc2F)n2nccc2n1.
What is the InChIKey of 7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is HYCIEHJUPDKVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O2/c14-7-1-2-9(15)8(5-7)11-6-10(13(19)20)17-12-3-4-16-18(11)12/h1-6H,(H,19,20).
What are the key properties of 7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 336.12 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 84610446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).