ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate

C15H23N5O3 — CID 71875284

IUPACethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CCc3[nH]ncc3C2)CC1
InChIInChI=1S/C15H23N5O3/c1-2-23-15(22)20-7-5-19(6-8-20)14(21)11-18-4-3-13-12(10-18)9-16-17-13/h9H,2-8,10-11H2,1H3,(H,16,17)
InChIKeyZRORZAFDXUKTGJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.07
Rot. Bonds3

About ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate (PubChem CID 71875284) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate
PubChem CID71875284
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Nameethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CCc3[nH]ncc3C2)CC1
InChIInChI=1S/C15H23N5O3/c1-2-23-15(22)20-7-5-19(6-8-20)14(21)11-18-4-3-13-12(10-18)9-16-17-13/h9H,2-8,10-11H2,1H3,(H,16,17)
InChIKeyZRORZAFDXUKTGJ-UHFFFAOYSA-N
XLogP0.07
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate (CID 71875284) is ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN2CCc3[nH]ncc3C2)CC1.
What is the InChIKey of ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is ZRORZAFDXUKTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-2-23-15(22)20-7-5-19(6-8-20)14(21)11-18-4-3-13-12(10-18)9-16-17-13/h9H,2-8,10-11H2,1H3,(H,16,17).
What are the key properties of ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 71875284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).