7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C20H15N5 — CID 6462770

IUPAC7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(-c3ccccc3)c(Cc3ccccc3)nn2c1N
InChIInChI=1S/C20H15N5/c21-12-16-13-23-20-18(15-9-5-2-6-10-15)17(24-25(20)19(16)22)11-14-7-3-1-4-8-14/h1-10,13H,11,22H2
InChIKeyHAGVPSJSVCKBGL-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.44
Rot. Bonds3

About 7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 6462770) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID6462770
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(-c3ccccc3)c(Cc3ccccc3)nn2c1N
InChIInChI=1S/C20H15N5/c21-12-16-13-23-20-18(15-9-5-2-6-10-15)17(24-25(20)19(16)22)11-14-7-3-1-4-8-14/h1-10,13H,11,22H2
InChIKeyHAGVPSJSVCKBGL-UHFFFAOYSA-N
XLogP3.44
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 6462770) is 7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cnc2c(-c3ccccc3)c(Cc3ccccc3)nn2c1N.
What is the InChIKey of 7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is HAGVPSJSVCKBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c21-12-16-13-23-20-18(15-9-5-2-6-10-15)17(24-25(20)19(16)22)11-14-7-3-1-4-8-14/h1-10,13H,11,22H2.
What are the key properties of 7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 325.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 6462770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).