ethyl 10-(1H-pyrazol-4-yl)decanoate

C15H26N2O2 — CID 151643996

IUPACethyl 10-(1H-pyrazol-4-yl)decanoate
SMILESCCOC(=O)CCCCCCCCCc1cn[nH]c1
InChIInChI=1S/C15H26N2O2/c1-2-19-15(18)11-9-7-5-3-4-6-8-10-14-12-16-17-13-14/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyQTCYCXOHVFYPGB-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.64
Rot. Bonds11

About ethyl 10-(1H-pyrazol-4-yl)decanoate

ethyl 10-(1H-pyrazol-4-yl)decanoate (PubChem CID 151643996) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is ethyl 10-(1H-pyrazol-4-yl)decanoate.

Molecular Properties

Compound Nameethyl 10-(1H-pyrazol-4-yl)decanoate
PubChem CID151643996
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nameethyl 10-(1H-pyrazol-4-yl)decanoate
SMILESCCOC(=O)CCCCCCCCCc1cn[nH]c1
InChIInChI=1S/C15H26N2O2/c1-2-19-15(18)11-9-7-5-3-4-6-8-10-14-12-16-17-13-14/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyQTCYCXOHVFYPGB-UHFFFAOYSA-N
XLogP3.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 10-(1H-pyrazol-4-yl)decanoate?
The IUPAC name of ethyl 10-(1H-pyrazol-4-yl)decanoate (CID 151643996) is ethyl 10-(1H-pyrazol-4-yl)decanoate.
What is the SMILES notation for ethyl 10-(1H-pyrazol-4-yl)decanoate?
The canonical SMILES for ethyl 10-(1H-pyrazol-4-yl)decanoate is CCOC(=O)CCCCCCCCCc1cn[nH]c1.
What is the InChIKey of ethyl 10-(1H-pyrazol-4-yl)decanoate?
The InChIKey is QTCYCXOHVFYPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-19-15(18)11-9-7-5-3-4-6-8-10-14-12-16-17-13-14/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of ethyl 10-(1H-pyrazol-4-yl)decanoate?
ethyl 10-(1H-pyrazol-4-yl)decanoate has a molecular weight of 266.38 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-(1H-pyrazol-4-yl)decanoate is sourced from PubChem (CID 151643996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).