ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate

C14H23N5O2 — CID 56893583

IUPACethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C14H23N5O2/c1-2-21-14(20)18-7-5-17(6-8-18)11-12-9-13-10-15-3-4-19(13)16-12/h9,15H,2-8,10-11H2,1H3
InChIKeyZCJQKMRBGSXYRK-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.26
Rot. Bonds3

About ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate

ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 56893583) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate
PubChem CID56893583
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Nameethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C14H23N5O2/c1-2-21-14(20)18-7-5-17(6-8-18)11-12-9-13-10-15-3-4-19(13)16-12/h9,15H,2-8,10-11H2,1H3
InChIKeyZCJQKMRBGSXYRK-UHFFFAOYSA-N
XLogP0.26
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate (CID 56893583) is ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2cc3n(n2)CCNC3)CC1.
What is the InChIKey of ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is ZCJQKMRBGSXYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-21-14(20)18-7-5-17(6-8-18)11-12-9-13-10-15-3-4-19(13)16-12/h9,15H,2-8,10-11H2,1H3.
What are the key properties of ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate?
ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 56893583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).