ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate

C14H20N4O2 — CID 63752146

IUPACethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1c(C#N)c(C)nn1C
InChIInChI=1S/C14H20N4O2/c1-4-20-14(19)12-7-5-6-8-18(12)13-11(9-15)10(2)16-17(13)3/h12H,4-8H2,1-3H3
InChIKeyFMCFHUCZPCXACK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.52
Rot. Bonds3

About ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate

ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate (PubChem CID 63752146) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate
PubChem CID63752146
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nameethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1c(C#N)c(C)nn1C
InChIInChI=1S/C14H20N4O2/c1-4-20-14(19)12-7-5-6-8-18(12)13-11(9-15)10(2)16-17(13)3/h12H,4-8H2,1-3H3
InChIKeyFMCFHUCZPCXACK-UHFFFAOYSA-N
XLogP1.52
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate (CID 63752146) is ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1c(C#N)c(C)nn1C.
What is the InChIKey of ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate?
The InChIKey is FMCFHUCZPCXACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-20-14(19)12-7-5-6-8-18(12)13-11(9-15)10(2)16-17(13)3/h12H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate?
ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylate is sourced from PubChem (CID 63752146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).