7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

C14H8N6 — CID 14950768

IUPAC7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2c(C#N)cnn2c1N
InChIInChI=1S/C14H8N6/c15-6-10-8-18-20-13(17)11(7-16)12(19-14(10)20)9-4-2-1-3-5-9/h1-5,8H,17H2
InChIKeyYZOBNHSZAFWCJG-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.72
Rot. Bonds1

About 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile (PubChem CID 14950768) has the molecular formula C14H8N6 and a molecular weight of 260.26 g/mol. Its IUPAC name is 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile.

Molecular Properties

Compound Name7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
PubChem CID14950768
Molecular FormulaC14H8N6
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2c(C#N)cnn2c1N
InChIInChI=1S/C14H8N6/c15-6-10-8-18-20-13(17)11(7-16)12(19-14(10)20)9-4-2-1-3-5-9/h1-5,8H,17H2
InChIKeyYZOBNHSZAFWCJG-UHFFFAOYSA-N
XLogP1.72
TPSA103.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-diamino-3-phenylpyrazole-4-carbonitrile
CID 174641016
5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1079878
4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile
CID 132540085
6-amino-2-phenylpyridine-3-carbonitrile
CID 121007722
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514541
2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 53487763
6-amino-2,4-diphenylpyridine-3-carbonitrile
CID 12686862
5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carbonitrile
CID 142426975
3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile
CID 1285614
6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile
CID 73292300
6-amino-1-(4-methylphenyl)-4-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 5297911
7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686472

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The IUPAC name of 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile (CID 14950768) is 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile.
What is the SMILES notation for 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The canonical SMILES for 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile is N#Cc1c(-c2ccccc2)nc2c(C#N)cnn2c1N.
What is the InChIKey of 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The InChIKey is YZOBNHSZAFWCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6/c15-6-10-8-18-20-13(17)11(7-16)12(19-14(10)20)9-4-2-1-3-5-9/h1-5,8H,17H2.
What are the key properties of 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile has a molecular weight of 260.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile is sourced from PubChem (CID 14950768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).