3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

C17H16FN3O2 — CID 20854964

IUPAC3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)O
InChIInChI=1S/C17H16FN3O2/c1-10-14(6-7-17(22)23)11(2)21-16(19-10)9-15(20-21)12-4-3-5-13(18)8-12/h3-5,8-9H,6-7H2,1-2H3,(H,22,23)
InChIKeyGOAPPHQXZPOQMK-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.17
Rot. Bonds4

About 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (PubChem CID 20854964) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
PubChem CID20854964
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)O
InChIInChI=1S/C17H16FN3O2/c1-10-14(6-7-17(22)23)11(2)21-16(19-10)9-15(20-21)12-4-3-5-13(18)8-12/h3-5,8-9H,6-7H2,1-2H3,(H,22,23)
InChIKeyGOAPPHQXZPOQMK-UHFFFAOYSA-N
XLogP3.17
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 131632913
CID 131632913
CID 137660604
CID 137660604
CID 686632
CID 686632
CID 16771359
CID 16771359
CID 25247546
CID 25247546
CID 20855090
CID 20855090
CID 16227680
CID 16227680
CID 646368
CID 646368
CID 16008320
CID 16008320
CID 16008347
CID 16008347
CID 20855077
CID 20855077
CID 3163256
CID 3163256

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (CID 20854964) is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)O.
What is the InChIKey of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The InChIKey is GOAPPHQXZPOQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-10-14(6-7-17(22)23)11(2)21-16(19-10)9-15(20-21)12-4-3-5-13(18)8-12/h3-5,8-9H,6-7H2,1-2H3,(H,22,23).
What are the key properties of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid has a molecular weight of 313.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is sourced from PubChem (CID 20854964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).