5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide

C14H16ClN3O2 — CID 2764684

IUPAC5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide
SMILESCCNC(=O)n1nccc1C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c1-3-16-14(19)18-13(8-9-17-18)10(2)20-12-6-4-11(15)5-7-12/h4-10H,3H2,1-2H3,(H,16,19)
InChIKeyHVKFGTJRFFQZQK-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.25
Rot. Bonds4

About 5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide

5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide (PubChem CID 2764684) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide
PubChem CID2764684
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide
SMILESCCNC(=O)n1nccc1C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c1-3-16-14(19)18-13(8-9-17-18)10(2)20-12-6-4-11(15)5-7-12/h4-10H,3H2,1-2H3,(H,16,19)
InChIKeyHVKFGTJRFFQZQK-UHFFFAOYSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide?
The IUPAC name of 5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide (CID 2764684) is 5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide.
What is the SMILES notation for 5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide?
The canonical SMILES for 5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide is CCNC(=O)n1nccc1C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide?
The InChIKey is HVKFGTJRFFQZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-16-14(19)18-13(8-9-17-18)10(2)20-12-6-4-11(15)5-7-12/h4-10H,3H2,1-2H3,(H,16,19).
What are the key properties of 5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide?
5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenoxy)ethyl]-N-ethylpyrazole-1-carboxamide is sourced from PubChem (CID 2764684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).