7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine

C19H14FN3 — CID 170092780

IUPAC7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccccc3)cc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C19H14FN3/c1-13-10-19-21-17(14-6-3-2-4-7-14)12-18(23(19)22-13)15-8-5-9-16(20)11-15/h2-12H,1H3
InChIKeyIHSMOPRPVFTJQC-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.51
Rot. Bonds2

About 7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine

7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 170092780) has the molecular formula C19H14FN3 and a molecular weight of 303.34 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID170092780
Molecular FormulaC19H14FN3
Molecular Weight303.34 g/mol
Exact Mass303.12
IUPAC Name7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccccc3)cc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C19H14FN3/c1-13-10-19-21-17(14-6-3-2-4-7-14)12-18(23(19)22-13)15-8-5-9-16(20)11-15/h2-12H,1H3
InChIKeyIHSMOPRPVFTJQC-UHFFFAOYSA-N
XLogP4.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine (CID 170092780) is 7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccccc3)cc(-c3cccc(F)c3)n2n1.
What is the InChIKey of 7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IHSMOPRPVFTJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3/c1-13-10-19-21-17(14-6-3-2-4-7-14)12-18(23(19)22-13)15-8-5-9-16(20)11-15/h2-12H,1H3.
What are the key properties of 7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine?
7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 303.34 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170092780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).