ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate

C14H23N3O3 — CID 68993564

IUPACethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(OCCCN2CCCCC2)n[nH]1
InChIInChI=1S/C14H23N3O3/c1-2-19-14(18)12-11-13(16-15-12)20-10-6-9-17-7-4-3-5-8-17/h11H,2-10H2,1H3,(H,15,16)
InChIKeyVPIRIJWCGNXVHA-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.84
Rot. Bonds7

About ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate

ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate (PubChem CID 68993564) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate
PubChem CID68993564
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(OCCCN2CCCCC2)n[nH]1
InChIInChI=1S/C14H23N3O3/c1-2-19-14(18)12-11-13(16-15-12)20-10-6-9-17-7-4-3-5-8-17/h11H,2-10H2,1H3,(H,15,16)
InChIKeyVPIRIJWCGNXVHA-UHFFFAOYSA-N
XLogP1.84
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-fluorosulfanyloxy-1H-pyrazole-5-carboxylate
CID 172573024
ethyl 4-amino-2-(3-pyrrolidin-1-ylpropoxy)benzoate
CID 106955343
ethyl 2-methyl-5-(3-piperidin-1-ylpropoxy)-1H-indole-3-carboxylate
CID 127030511
4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
CID 142664562
ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate
CID 135319051
ethyl 3-(trifluoromethylsulfonyloxy)-1H-pyrazole-5-carboxylate
CID 154321389
diethyl 2,6-dimethyl-4-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 155516568
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
ethyl 3-[4-[3-(azepan-1-yl)propoxy]phenyl]propanoate
CID 67547983
ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
CID 75357944
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
ethyl 4-piperidin-1-ylbutanoate
CID 14044356

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate (CID 68993564) is ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(OCCCN2CCCCC2)n[nH]1.
What is the InChIKey of ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate?
The InChIKey is VPIRIJWCGNXVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-19-14(18)12-11-13(16-15-12)20-10-6-9-17-7-4-3-5-8-17/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate?
ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 68993564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).