5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine

C14H19N3O3 — CID 66013664

IUPAC5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1c(OC)cccc1OC
InChIInChI=1S/C14H19N3O3/c1-5-17-14(12(15)9(2)16-17)20-13-10(18-3)7-6-8-11(13)19-4/h6-8H,5,15H2,1-4H3
InChIKeyVSUSFXMVLINQTE-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.60
Rot. Bonds5

About 5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine

5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66013664) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66013664
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1c(OC)cccc1OC
InChIInChI=1S/C14H19N3O3/c1-5-17-14(12(15)9(2)16-17)20-13-10(18-3)7-6-8-11(13)19-4/h6-8H,5,15H2,1-4H3
InChIKeyVSUSFXMVLINQTE-UHFFFAOYSA-N
XLogP2.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine (CID 66013664) is 5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1Oc1c(OC)cccc1OC.
What is the InChIKey of 5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is VSUSFXMVLINQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-5-17-14(12(15)9(2)16-17)20-13-10(18-3)7-6-8-11(13)19-4/h6-8H,5,15H2,1-4H3.
What are the key properties of 5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine?
5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 277.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66013664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).