ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate

C18H28N4O3 — CID 90649239

IUPACethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCn3nc(C(O)C4CC4)cc3C2)CC1
InChIInChI=1S/C18H28N4O3/c1-2-25-18(24)20-7-5-14(6-8-20)21-9-10-22-15(12-21)11-16(19-22)17(23)13-3-4-13/h11,13-14,17,23H,2-10,12H2,1H3
InChIKeyRLLGJXHOFGGTCL-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.76
Rot. Bonds4

About ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate

ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate (PubChem CID 90649239) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate
PubChem CID90649239
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nameethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCn3nc(C(O)C4CC4)cc3C2)CC1
InChIInChI=1S/C18H28N4O3/c1-2-25-18(24)20-7-5-14(6-8-20)21-9-10-22-15(12-21)11-16(19-22)17(23)13-3-4-13/h11,13-14,17,23H,2-10,12H2,1H3
InChIKeyRLLGJXHOFGGTCL-UHFFFAOYSA-N
XLogP1.76
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate (CID 90649239) is ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCn3nc(C(O)C4CC4)cc3C2)CC1.
What is the InChIKey of ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate?
The InChIKey is RLLGJXHOFGGTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-25-18(24)20-7-5-14(6-8-20)21-9-10-22-15(12-21)11-16(19-22)17(23)13-3-4-13/h11,13-14,17,23H,2-10,12H2,1H3.
What are the key properties of ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate?
ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 90649239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).