7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde

C19H11F2N3O — CID 164946408

IUPAC7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
SMILESO=Cc1cc(-c2ccc(F)c(F)c2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C19H11F2N3O/c20-15-7-6-13(8-16(15)21)18-9-14(11-25)22-19-10-17(23-24(18)19)12-4-2-1-3-5-12/h1-11H
InChIKeyFLATYOMXROJPKM-UHFFFAOYSA-N
MW335.31 g/mol
LogP4.15
Rot. Bonds3

About 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde

7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde (PubChem CID 164946408) has the molecular formula C19H11F2N3O and a molecular weight of 335.31 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
PubChem CID164946408
Molecular FormulaC19H11F2N3O
Molecular Weight335.31 g/mol
Exact Mass335.09
IUPAC Name7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
SMILESO=Cc1cc(-c2ccc(F)c(F)c2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C19H11F2N3O/c20-15-7-6-13(8-16(15)21)18-9-14(11-25)22-19-10-17(23-24(18)19)12-4-2-1-3-5-12/h1-11H
InChIKeyFLATYOMXROJPKM-UHFFFAOYSA-N
XLogP4.15
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The IUPAC name of 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde (CID 164946408) is 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The canonical SMILES for 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde is O=Cc1cc(-c2ccc(F)c(F)c2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The InChIKey is FLATYOMXROJPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O/c20-15-7-6-13(8-16(15)21)18-9-14(11-25)22-19-10-17(23-24(18)19)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde has a molecular weight of 335.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 164946408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).