7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C11H7N5S — CID 70690634

IUPAC7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(N)cc(-c3cccs3)nc12
InChIInChI=1S/C11H7N5S/c12-5-7-6-14-16-10(13)4-8(15-11(7)16)9-2-1-3-17-9/h1-4,6H,13H2
InChIKeyBUZJMSXTYXPIDN-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.91
Rot. Bonds1

About 7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 70690634) has the molecular formula C11H7N5S and a molecular weight of 241.28 g/mol. Its IUPAC name is 7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID70690634
Molecular FormulaC11H7N5S
Molecular Weight241.28 g/mol
Exact Mass241.04
IUPAC Name7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(N)cc(-c3cccs3)nc12
InChIInChI=1S/C11H7N5S/c12-5-7-6-14-16-10(13)4-8(15-11(7)16)9-2-1-3-17-9/h1-4,6H,13H2
InChIKeyBUZJMSXTYXPIDN-UHFFFAOYSA-N
XLogP1.91
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 70690634) is 7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(N)cc(-c3cccs3)nc12.
What is the InChIKey of 7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is BUZJMSXTYXPIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5S/c12-5-7-6-14-16-10(13)4-8(15-11(7)16)9-2-1-3-17-9/h1-4,6H,13H2.
What are the key properties of 7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 241.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 70690634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).