5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile

C14H15N3O2 — CID 55243676

IUPAC5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCOc1cccc(Oc2c(C#N)c(C)nn2C)c1
InChIInChI=1S/C14H15N3O2/c1-4-18-11-6-5-7-12(8-11)19-14-13(9-15)10(2)16-17(14)3/h5-8H,4H2,1-3H3
InChIKeyFJDXKKYGDVOYBY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.79
Rot. Bonds4

About 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile

5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 55243676) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID55243676
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCOc1cccc(Oc2c(C#N)c(C)nn2C)c1
InChIInChI=1S/C14H15N3O2/c1-4-18-11-6-5-7-12(8-11)19-14-13(9-15)10(2)16-17(14)3/h5-8H,4H2,1-3H3
InChIKeyFJDXKKYGDVOYBY-UHFFFAOYSA-N
XLogP2.79
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile 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-[3-(aminomethyl)phenoxy]-1,3-dimethylpyrazole-4-carbonitrile
CID 106485851
1,3-dimethyl-5-(3-propan-2-ylphenoxy)pyrazole-4-carbonitrile
CID 63750659
1,3-dimethyl-5-(3-nitrophenoxy)pyrazole-4-carbonitrile
CID 63753195
5-(4-bromo-3-fluorophenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 65203356
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
4-(4-cyano-1,3-dimethylpyrazol-5-yl)oxy-2-fluorobenzoic acid
CID 107677424
5-(2-amino-6-chlorophenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 107717831
1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile
CID 106485435
5-(2-chloro-4-methylphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 55243677
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
2-(3-ethoxyphenoxy)-5-methylbenzonitrile
CID 107928195
1,3-dimethyl-5-(3-methyl-2-nitrophenoxy)pyrazole-4-carbonitrile
CID 63751156

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile (CID 55243676) is 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile is CCOc1cccc(Oc2c(C#N)c(C)nn2C)c1.
What is the InChIKey of 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is FJDXKKYGDVOYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-4-18-11-6-5-7-12(8-11)19-14-13(9-15)10(2)16-17(14)3/h5-8H,4H2,1-3H3.
What are the key properties of 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile?
5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 55243676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).