5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C13H8FN3O2 — CID 19916322

IUPAC5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)nc2ccnn12
InChIInChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)10-7-11(13(18)19)17-12(16-10)5-6-15-17/h1-7H,(H,18,19)
InChIKeyMTEDZZRWBFGIFC-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.23
Rot. Bonds2

About 5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 19916322) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID19916322
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)nc2ccnn12
InChIInChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)10-7-11(13(18)19)17-12(16-10)5-6-15-17/h1-7H,(H,18,19)
InChIKeyMTEDZZRWBFGIFC-UHFFFAOYSA-N
XLogP2.23
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
3-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylamino)-benzoic acid
CID 743045
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
5,7-Diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 771943
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
7-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
O3-(2-fluorobenzoyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydroximamide
CID 9584170
1-(4-Fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247546
2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 19916322) is 5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2)nc2ccnn12.
What is the InChIKey of 5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is MTEDZZRWBFGIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)10-7-11(13(18)19)17-12(16-10)5-6-15-17/h1-7H,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 257.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 19916322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).