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

C12H14N6 — CID 53319425

IUPAC7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(N)cc(C3CCCNC3)nc12
InChIInChI=1S/C12H14N6/c13-5-9-7-16-18-11(14)4-10(17-12(9)18)8-2-1-3-15-6-8/h4,7-8,15H,1-3,6,14H2
InChIKeyUNHFGWSVFBRTHN-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.65
Rot. Bonds1

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

7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 53319425) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID53319425
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(N)cc(C3CCCNC3)nc12
InChIInChI=1S/C12H14N6/c13-5-9-7-16-18-11(14)4-10(17-12(9)18)8-2-1-3-15-6-8/h4,7-8,15H,1-3,6,14H2
InChIKeyUNHFGWSVFBRTHN-UHFFFAOYSA-N
XLogP0.65
TPSA92.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 53319425) is 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(N)cc(C3CCCNC3)nc12.
What is the InChIKey of 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is UNHFGWSVFBRTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c13-5-9-7-16-18-11(14)4-10(17-12(9)18)8-2-1-3-15-6-8/h4,7-8,15H,1-3,6,14H2.
What are the key properties of 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 242.29 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 53319425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).