2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol

C16H20Cl2N2O2 — CID 45486836

IUPAC2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(CC)c1C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c1-3-13-15(14(4-2)20(19-13)5-6-21)16(22)10-7-11(17)9-12(18)8-10/h7-9,16,21-22H,3-6H2,1-2H3
InChIKeyAWACBSYGXQKTOJ-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.39
Rot. Bonds6

About 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol

2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol (PubChem CID 45486836) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol
PubChem CID45486836
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(CC)c1C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c1-3-13-15(14(4-2)20(19-13)5-6-21)16(22)10-7-11(17)9-12(18)8-10/h7-9,16,21-22H,3-6H2,1-2H3
InChIKeyAWACBSYGXQKTOJ-UHFFFAOYSA-N
XLogP3.39
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-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 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol (CID 45486836) is 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol is CCc1nn(CCO)c(CC)c1C(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol?
The InChIKey is AWACBSYGXQKTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-3-13-15(14(4-2)20(19-13)5-6-21)16(22)10-7-11(17)9-12(18)8-10/h7-9,16,21-22H,3-6H2,1-2H3.
What are the key properties of 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol?
2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol has a molecular weight of 343.25 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dichlorophenyl)-hydroxymethyl]-3,5-diethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 45486836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).