propyl 3-ethylpyrazole-1-carboxylate

C9H14N2O2 — CID 141329020

IUPACpropyl 3-ethylpyrazole-1-carboxylate
SMILESCCCOC(=O)n1ccc(CC)n1
InChIInChI=1S/C9H14N2O2/c1-3-7-13-9(12)11-6-5-8(4-2)10-11/h5-6H,3-4,7H2,1-2H3
InChIKeyANNRNRDAAFJGOP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.84
Rot. Bonds3

About propyl 3-ethylpyrazole-1-carboxylate

propyl 3-ethylpyrazole-1-carboxylate (PubChem CID 141329020) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is propyl 3-ethylpyrazole-1-carboxylate.

Molecular Properties

Compound Namepropyl 3-ethylpyrazole-1-carboxylate
PubChem CID141329020
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Namepropyl 3-ethylpyrazole-1-carboxylate
SMILESCCCOC(=O)n1ccc(CC)n1
InChIInChI=1S/C9H14N2O2/c1-3-7-13-9(12)11-6-5-8(4-2)10-11/h5-6H,3-4,7H2,1-2H3
InChIKeyANNRNRDAAFJGOP-UHFFFAOYSA-N
XLogP1.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 3-ethylpyrazole-1-carboxylate?
The IUPAC name of propyl 3-ethylpyrazole-1-carboxylate (CID 141329020) is propyl 3-ethylpyrazole-1-carboxylate.
What is the SMILES notation for propyl 3-ethylpyrazole-1-carboxylate?
The canonical SMILES for propyl 3-ethylpyrazole-1-carboxylate is CCCOC(=O)n1ccc(CC)n1.
What is the InChIKey of propyl 3-ethylpyrazole-1-carboxylate?
The InChIKey is ANNRNRDAAFJGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7-13-9(12)11-6-5-8(4-2)10-11/h5-6H,3-4,7H2,1-2H3.
What are the key properties of propyl 3-ethylpyrazole-1-carboxylate?
propyl 3-ethylpyrazole-1-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-ethylpyrazole-1-carboxylate is sourced from PubChem (CID 141329020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).