ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate

C14H15ClN2O2 — CID 21289696

IUPACethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(CC)c2)c1Cl
InChIInChI=1S/C14H15ClN2O2/c1-3-10-6-5-7-11(8-10)17-13(15)12(9-16-17)14(18)19-4-2/h5-9H,3-4H2,1-2H3
InChIKeyJVYOFICHEZBZMV-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.26
Rot. Bonds4

About ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate

ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate (PubChem CID 21289696) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate
PubChem CID21289696
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Nameethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(CC)c2)c1Cl
InChIInChI=1S/C14H15ClN2O2/c1-3-10-6-5-7-11(8-10)17-13(15)12(9-16-17)14(18)19-4-2/h5-9H,3-4H2,1-2H3
InChIKeyJVYOFICHEZBZMV-UHFFFAOYSA-N
XLogP3.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate (CID 21289696) is ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cccc(CC)c2)c1Cl.
What is the InChIKey of ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate?
The InChIKey is JVYOFICHEZBZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-3-10-6-5-7-11(8-10)17-13(15)12(9-16-17)14(18)19-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate?
ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-1-(3-ethylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 21289696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).