3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile

C15H16N6 — CID 138807054

IUPAC3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCC2(CCc3cn[nH]c32)C1
InChIInChI=1S/C15H16N6/c16-8-12-14(18-6-5-17-12)21-7-1-3-15(10-21)4-2-11-9-19-20-13(11)15/h5-6,9H,1-4,7,10H2,(H,19,20)
InChIKeyIQUHILVAQZAZCD-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.56
Rot. Bonds1

About 3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile

3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile (PubChem CID 138807054) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile
PubChem CID138807054
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCC2(CCc3cn[nH]c32)C1
InChIInChI=1S/C15H16N6/c16-8-12-14(18-6-5-17-12)21-7-1-3-15(10-21)4-2-11-9-19-20-13(11)15/h5-6,9H,1-4,7,10H2,(H,19,20)
InChIKeyIQUHILVAQZAZCD-UHFFFAOYSA-N
XLogP1.56
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile (CID 138807054) is 3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile is N#Cc1nccnc1N1CCCC2(CCc3cn[nH]c32)C1.
What is the InChIKey of 3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile?
The InChIKey is IQUHILVAQZAZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-8-12-14(18-6-5-17-12)21-7-1-3-15(10-21)4-2-11-9-19-20-13(11)15/h5-6,9H,1-4,7,10H2,(H,19,20).
What are the key properties of 3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile?
3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 138807054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).