7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C16H12FN3O2 — CID 71683789

IUPAC7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)n2nc(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C16H12FN3O2/c17-11-3-1-2-10(6-11)12-8-15-18-13(16(21)22)7-14(9-4-5-9)20(15)19-12/h1-3,6-9H,4-5H2,(H,21,22)
InChIKeyBNJBJSPRPWWZRU-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.11
Rot. Bonds3

About 7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 71683789) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID71683789
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)n2nc(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C16H12FN3O2/c17-11-3-1-2-10(6-11)12-8-15-18-13(16(21)22)7-14(9-4-5-9)20(15)19-12/h1-3,6-9H,4-5H2,(H,21,22)
InChIKeyBNJBJSPRPWWZRU-UHFFFAOYSA-N
XLogP3.11
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 71683789) is 7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(C2CC2)n2nc(-c3cccc(F)c3)cc2n1.
What is the InChIKey of 7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is BNJBJSPRPWWZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-11-3-1-2-10(6-11)12-8-15-18-13(16(21)22)7-14(9-4-5-9)20(15)19-12/h1-3,6-9H,4-5H2,(H,21,22).
What are the key properties of 7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 297.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 71683789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).