ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride

C11H20Cl2N4O2 — CID 54593650

IUPACethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cnn(C2CCNCC2)c1N.Cl.Cl
InChIInChI=1S/C11H18N4O2.2ClH/c1-2-17-11(16)9-7-14-15(10(9)12)8-3-5-13-6-4-8;;/h7-8,13H,2-6,12H2,1H3;2*1H
InChIKeyGGZYMBPRBIZDIL-UHFFFAOYSA-N
MW311.21 g/mol
LogP1.41
Rot. Bonds3

About ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride

ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride (PubChem CID 54593650) has the molecular formula C11H20Cl2N4O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride
PubChem CID54593650
Molecular FormulaC11H20Cl2N4O2
Molecular Weight311.21 g/mol
Exact Mass310.10
IUPAC Nameethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cnn(C2CCNCC2)c1N.Cl.Cl
InChIInChI=1S/C11H18N4O2.2ClH/c1-2-17-11(16)9-7-14-15(10(9)12)8-3-5-13-6-4-8;;/h7-8,13H,2-6,12H2,1H3;2*1H
InChIKeyGGZYMBPRBIZDIL-UHFFFAOYSA-N
XLogP1.41
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride?
The IUPAC name of ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride (CID 54593650) is ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride is CCOC(=O)c1cnn(C2CCNCC2)c1N.Cl.Cl.
What is the InChIKey of ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride?
The InChIKey is GGZYMBPRBIZDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.2ClH/c1-2-17-11(16)9-7-14-15(10(9)12)8-3-5-13-6-4-8;;/h7-8,13H,2-6,12H2,1H3;2*1H.
What are the key properties of ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride?
ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride has a molecular weight of 311.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride is sourced from PubChem (CID 54593650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).