5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride

C9H14ClN5 — CID 162313016

IUPAC5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1cnn(C2CCCNC2)c1N
InChIInChI=1S/C9H13N5.ClH/c10-4-7-5-13-14(9(7)11)8-2-1-3-12-6-8;/h5,8,12H,1-3,6,11H2;1H
InChIKeyYCCOFGDYMYVKLK-UHFFFAOYSA-N
MW227.70 g/mol
LogP0.68
Rot. Bonds1

About 5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride

5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride (PubChem CID 162313016) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride
PubChem CID162313016
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1cnn(C2CCCNC2)c1N
InChIInChI=1S/C9H13N5.ClH/c10-4-7-5-13-14(9(7)11)8-2-1-3-12-6-8;/h5,8,12H,1-3,6,11H2;1H
InChIKeyYCCOFGDYMYVKLK-UHFFFAOYSA-N
XLogP0.68
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride?
The IUPAC name of 5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride (CID 162313016) is 5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride.
What is the SMILES notation for 5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride?
The canonical SMILES for 5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride is Cl.N#Cc1cnn(C2CCCNC2)c1N.
What is the InChIKey of 5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride?
The InChIKey is YCCOFGDYMYVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5.ClH/c10-4-7-5-13-14(9(7)11)8-2-1-3-12-6-8;/h5,8,12H,1-3,6,11H2;1H.
What are the key properties of 5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride?
5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride has a molecular weight of 227.70 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride is sourced from PubChem (CID 162313016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).