1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol

C16H20Cl2N2O — CID 82698540

IUPAC1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
SMILESCCc1nn(Cc2ccc(Cl)c(Cl)c2)c(CC)c1C(C)O
InChIInChI=1S/C16H20Cl2N2O/c1-4-14-16(10(3)21)15(5-2)20(19-14)9-11-6-7-12(17)13(18)8-11/h6-8,10,21H,4-5,9H2,1-3H3
InChIKeyGJBSMDIMOYNQIN-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.42
Rot. Bonds5

About 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol

1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol (PubChem CID 82698540) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
PubChem CID82698540
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC Name1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
SMILESCCc1nn(Cc2ccc(Cl)c(Cl)c2)c(CC)c1C(C)O
InChIInChI=1S/C16H20Cl2N2O/c1-4-14-16(10(3)21)15(5-2)20(19-14)9-11-6-7-12(17)13(18)8-11/h6-8,10,21H,4-5,9H2,1-3H3
InChIKeyGJBSMDIMOYNQIN-UHFFFAOYSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol 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 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol (CID 82698540) is 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol is CCc1nn(Cc2ccc(Cl)c(Cl)c2)c(CC)c1C(C)O.
What is the InChIKey of 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol?
The InChIKey is GJBSMDIMOYNQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-4-14-16(10(3)21)15(5-2)20(19-14)9-11-6-7-12(17)13(18)8-11/h6-8,10,21H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol?
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol has a molecular weight of 327.26 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 82698540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).