5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile

C10H16N6O — CID 102795336

IUPAC5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCNCC2)nn(CCO)c1N
InChIInChI=1S/C10H16N6O/c11-7-8-9(12)16(5-6-17)14-10(8)15-3-1-13-2-4-15/h13,17H,1-6,12H2
InChIKeyBYGBJOVMHACFLH-UHFFFAOYSA-N
MW236.28 g/mol
LogP-1.26
Rot. Bonds3

About 5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile

5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile (PubChem CID 102795336) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
PubChem CID102795336
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCNCC2)nn(CCO)c1N
InChIInChI=1S/C10H16N6O/c11-7-8-9(12)16(5-6-17)14-10(8)15-3-1-13-2-4-15/h13,17H,1-6,12H2
InChIKeyBYGBJOVMHACFLH-UHFFFAOYSA-N
XLogP-1.26
TPSA103.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile (CID 102795336) is 5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile is N#Cc1c(N2CCNCC2)nn(CCO)c1N.
What is the InChIKey of 5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile?
The InChIKey is BYGBJOVMHACFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c11-7-8-9(12)16(5-6-17)14-10(8)15-3-1-13-2-4-15/h13,17H,1-6,12H2.
What are the key properties of 5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile?
5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of -1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 102795336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).