ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate

C17H24N6O2 — CID 70735990

IUPACethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2ccnc2-c2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C17H24N6O2/c1-2-25-17(24)21-7-3-13(4-8-21)22-9-6-19-16(22)15-11-14-12-18-5-10-23(14)20-15/h6,9,11,13,18H,2-5,7-8,10,12H2,1H3
InChIKeySMZNAFAHISPXRZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.64
Rot. Bonds3

About ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate

ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate (PubChem CID 70735990) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate
PubChem CID70735990
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Nameethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2ccnc2-c2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C17H24N6O2/c1-2-25-17(24)21-7-3-13(4-8-21)22-9-6-19-16(22)15-11-14-12-18-5-10-23(14)20-15/h6,9,11,13,18H,2-5,7-8,10,12H2,1H3
InChIKeySMZNAFAHISPXRZ-UHFFFAOYSA-N
XLogP1.64
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate (CID 70735990) is ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2ccnc2-c2cc3n(n2)CCNC3)CC1.
What is the InChIKey of ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate?
The InChIKey is SMZNAFAHISPXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-2-25-17(24)21-7-3-13(4-8-21)22-9-6-19-16(22)15-11-14-12-18-5-10-23(14)20-15/h6,9,11,13,18H,2-5,7-8,10,12H2,1H3.
What are the key properties of ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate?
ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 70735990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).