5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C14H10FN3O2 — CID 847248

IUPAC5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C14H10FN3O2/c1-8-6-11(9-2-4-10(15)5-3-9)16-13-7-12(14(19)20)17-18(8)13/h2-7H,1H3,(H,19,20)
InChIKeySRNOGSRXJDCVQJ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.54
Rot. Bonds2

About 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 847248) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID847248
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C14H10FN3O2/c1-8-6-11(9-2-4-10(15)5-3-9)16-13-7-12(14(19)20)17-18(8)13/h2-7H,1H3,(H,19,20)
InChIKeySRNOGSRXJDCVQJ-UHFFFAOYSA-N
XLogP2.54
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 847248) is 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)nn12.
What is the InChIKey of 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is SRNOGSRXJDCVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-8-6-11(9-2-4-10(15)5-3-9)16-13-7-12(14(19)20)17-18(8)13/h2-7H,1H3,(H,19,20).
What are the key properties of 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 847248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).