5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide

C15H20N4O2 — CID 107665144

IUPAC5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Oc1ccc(CC)cc1OC
InChIInChI=1S/C15H20N4O2/c1-5-10-6-7-11(12(8-10)20-4)21-15-13(14(16)17)9(2)18-19(15)3/h6-8H,5H2,1-4H3,(H3,16,17)
InChIKeyHEIYXGKCNZUNOB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.38
Rot. Bonds5

About 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide

5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 107665144) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID107665144
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Oc1ccc(CC)cc1OC
InChIInChI=1S/C15H20N4O2/c1-5-10-6-7-11(12(8-10)20-4)21-15-13(14(16)17)9(2)18-19(15)3/h6-8H,5H2,1-4H3,(H3,16,17)
InChIKeyHEIYXGKCNZUNOB-UHFFFAOYSA-N
XLogP2.38
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 104707795
5-(4-butylphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 115492697
5-(2,4-dibromophenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 64719322
5-(2-bromo-4-chlorophenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63750877
3-ethyl-5-(4-ethyl-2-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 107663815
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107665132
1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide
CID 63750716
5-(5-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 114673652
5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752575
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 55242716
5-[4-(hydroxymethyl)-2-methoxyphenoxy]-1,3-dimethylpyrazole-4-carbaldehyde
CID 107743456

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide (CID 107665144) is 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1Oc1ccc(CC)cc1OC.
What is the InChIKey of 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is HEIYXGKCNZUNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-5-10-6-7-11(12(8-10)20-4)21-15-13(14(16)17)9(2)18-19(15)3/h6-8H,5H2,1-4H3,(H3,16,17).
What are the key properties of 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide?
5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 288.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 107665144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).