7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H11N5S — CID 70692773

IUPAC7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NC3CC3)cc(-c3cccs3)nc12
InChIInChI=1S/C14H11N5S/c15-7-9-8-16-19-13(17-10-3-4-10)6-11(18-14(9)19)12-2-1-5-20-12/h1-2,5-6,8,10,17H,3-4H2
InChIKeySTCOLNQHSDHOJI-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.90
Rot. Bonds3

About 7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 70692773) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID70692773
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NC3CC3)cc(-c3cccs3)nc12
InChIInChI=1S/C14H11N5S/c15-7-9-8-16-19-13(17-10-3-4-10)6-11(18-14(9)19)12-2-1-5-20-12/h1-2,5-6,8,10,17H,3-4H2
InChIKeySTCOLNQHSDHOJI-UHFFFAOYSA-N
XLogP2.90
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 70692773) is 7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(NC3CC3)cc(-c3cccs3)nc12.
What is the InChIKey of 7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is STCOLNQHSDHOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c15-7-9-8-16-19-13(17-10-3-4-10)6-11(18-14(9)19)12-2-1-5-20-12/h1-2,5-6,8,10,17H,3-4H2.
What are the key properties of 7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 70692773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).