ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate

C13H21N3O2 — CID 79003972

IUPACethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCN2CCCCC2)c1
InChIInChI=1S/C13H21N3O2/c1-2-18-13(17)12-10-14-16(11-12)9-8-15-6-4-3-5-7-15/h10-11H,2-9H2,1H3
InChIKeyLPIOXWGNTJLXEX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.55
Rot. Bonds5

About ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate

ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate (PubChem CID 79003972) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate
PubChem CID79003972
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCN2CCCCC2)c1
InChIInChI=1S/C13H21N3O2/c1-2-18-13(17)12-10-14-16(11-12)9-8-15-6-4-3-5-7-15/h10-11H,2-9H2,1H3
InChIKeyLPIOXWGNTJLXEX-UHFFFAOYSA-N
XLogP1.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 1-(3-methoxy-3-methylbutyl)pyrazole-4-carboxylate
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ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylate
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ethyl 1-[2-(4-aminophenoxy)ethyl]pyrazole-4-carboxylate
CID 81498880
4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
CID 58081217
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
CID 107043996
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
CID 84586642
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate (CID 79003972) is ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCN2CCCCC2)c1.
What is the InChIKey of ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate?
The InChIKey is LPIOXWGNTJLXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-18-13(17)12-10-14-16(11-12)9-8-15-6-4-3-5-7-15/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate?
ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 79003972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).