2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol

C16H23N3O — CID 25192947

IUPAC2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
SMILESCc1nn(C)c(C)c1-c1ccc(O)c(CCN(C)C)c1
InChIInChI=1S/C16H23N3O/c1-11-16(12(2)19(5)17-11)14-6-7-15(20)13(10-14)8-9-18(3)4/h6-7,10,20H,8-9H2,1-5H3
InChIKeyWYAXXBALGWXICA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.51
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol

2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol (PubChem CID 25192947) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
PubChem CID25192947
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
SMILESCc1nn(C)c(C)c1-c1ccc(O)c(CCN(C)C)c1
InChIInChI=1S/C16H23N3O/c1-11-16(12(2)19(5)17-11)14-6-7-15(20)13(10-14)8-9-18(3)4/h6-7,10,20H,8-9H2,1-5H3
InChIKeyWYAXXBALGWXICA-UHFFFAOYSA-N
XLogP2.51
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol (CID 25192947) is 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol is Cc1nn(C)c(C)c1-c1ccc(O)c(CCN(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol?
The InChIKey is WYAXXBALGWXICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-16(12(2)19(5)17-11)14-6-7-15(20)13(10-14)8-9-18(3)4/h6-7,10,20H,8-9H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol?
2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol has a molecular weight of 273.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol is sourced from PubChem (CID 25192947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).