2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H9N5 — CID 900932

IUPAC2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#CCc1nn2c(-c3ccccc3)ccnc2c1C#N
InChIInChI=1S/C15H9N5/c16-8-6-13-12(10-17)15-18-9-7-14(20(15)19-13)11-4-2-1-3-5-11/h1-5,7,9H,6H2
InChIKeyFLORBYSMCRRTQG-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.33
Rot. Bonds2

About 2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 900932) has the molecular formula C15H9N5 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID900932
Molecular FormulaC15H9N5
Molecular Weight259.27 g/mol
Exact Mass259.09
IUPAC Name2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#CCc1nn2c(-c3ccccc3)ccnc2c1C#N
InChIInChI=1S/C15H9N5/c16-8-6-13-12(10-17)15-18-9-7-14(20(15)19-13)11-4-2-1-3-5-11/h1-5,7,9H,6H2
InChIKeyFLORBYSMCRRTQG-UHFFFAOYSA-N
XLogP2.33
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 900932) is 2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#CCc1nn2c(-c3ccccc3)ccnc2c1C#N.
What is the InChIKey of 2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is FLORBYSMCRRTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5/c16-8-6-13-12(10-17)15-18-9-7-14(20(15)19-13)11-4-2-1-3-5-11/h1-5,7,9H,6H2.
What are the key properties of 2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 259.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 900932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).