ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate

C13H20N4O3 — CID 61118509

IUPACethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2cc(N)cn2)CC1
InChIInChI=1S/C13H20N4O3/c1-2-20-13(19)10-3-5-16(6-4-10)12(18)9-17-8-11(14)7-15-17/h7-8,10H,2-6,9,14H2,1H3
InChIKeyOZAGJKHORBMWFK-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.27
Rot. Bonds4

About ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate (PubChem CID 61118509) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
PubChem CID61118509
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2cc(N)cn2)CC1
InChIInChI=1S/C13H20N4O3/c1-2-20-13(19)10-3-5-16(6-4-10)12(18)9-17-8-11(14)7-15-17/h7-8,10H,2-6,9,14H2,1H3
InChIKeyOZAGJKHORBMWFK-UHFFFAOYSA-N
XLogP0.27
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 55005608
1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502855
ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate
CID 79806253
2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
CID 102955084
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796728
1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 55213875
N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide
CID 113402026
2-(4-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81096183
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107209661
ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate
CID 122246383

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate (CID 61118509) is ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2cc(N)cn2)CC1.
What is the InChIKey of ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is OZAGJKHORBMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-20-13(19)10-3-5-16(6-4-10)12(18)9-17-8-11(14)7-15-17/h7-8,10H,2-6,9,14H2,1H3.
What are the key properties of ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 61118509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).