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

C13H8N4 — CID 1480415

IUPAC7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C13H8N4/c14-8-11-9-16-17-12(6-7-15-13(11)17)10-4-2-1-3-5-10/h1-7,9H
InChIKeyJEIMLAZQABXLEV-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.27
Rot. Bonds1

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

7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 1480415) has the molecular formula C13H8N4 and a molecular weight of 220.24 g/mol. Its IUPAC name is 7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID1480415
Molecular FormulaC13H8N4
Molecular Weight220.24 g/mol
Exact Mass220.07
IUPAC Name7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C13H8N4/c14-8-11-9-16-17-12(6-7-15-13(11)17)10-4-2-1-3-5-10/h1-7,9H
InChIKeyJEIMLAZQABXLEV-UHFFFAOYSA-N
XLogP2.27
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 1480415) is 7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of 7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is JEIMLAZQABXLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4/c14-8-11-9-16-17-12(6-7-15-13(11)17)10-4-2-1-3-5-10/h1-7,9H.
What are the key properties of 7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 220.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 1480415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).