7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H9N5 — CID 70694812

IUPAC7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(N)cc(-c3ccccc3)nc12
InChIInChI=1S/C13H9N5/c14-7-10-8-16-18-12(15)6-11(17-13(10)18)9-4-2-1-3-5-9/h1-6,8H,15H2
InChIKeyOFOBESMNUFHZLF-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.85
Rot. Bonds1

About 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 70694812) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID70694812
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(N)cc(-c3ccccc3)nc12
InChIInChI=1S/C13H9N5/c14-7-10-8-16-18-12(15)6-11(17-13(10)18)9-4-2-1-3-5-9/h1-6,8H,15H2
InChIKeyOFOBESMNUFHZLF-UHFFFAOYSA-N
XLogP1.85
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 70694812) is 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(N)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is OFOBESMNUFHZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-7-10-8-16-18-12(15)6-11(17-13(10)18)9-4-2-1-3-5-9/h1-6,8H,15H2.
What are the key properties of 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 70694812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).