3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

C13H9BrFN3 — CID 3638695

IUPAC3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccc(F)cc3)ccnc2c1Br
InChIInChI=1S/C13H9BrFN3/c1-8-12(14)13-16-7-6-11(18(13)17-8)9-2-4-10(15)5-3-9/h2-7H,1H3
InChIKeyNNCIOPVYSPUVEI-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.61
Rot. Bonds1

About 3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 3638695) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID3638695
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccc(F)cc3)ccnc2c1Br
InChIInChI=1S/C13H9BrFN3/c1-8-12(14)13-16-7-6-11(18(13)17-8)9-2-4-10(15)5-3-9/h2-7H,1H3
InChIKeyNNCIOPVYSPUVEI-UHFFFAOYSA-N
XLogP3.61
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 3638695) is 3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3ccc(F)cc3)ccnc2c1Br.
What is the InChIKey of 3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NNCIOPVYSPUVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c1-8-12(14)13-16-7-6-11(18(13)17-8)9-2-4-10(15)5-3-9/h2-7H,1H3.
What are the key properties of 3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 306.14 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3638695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).