2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol

C15H18Cl2N2O — CID 105084690

IUPAC2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2c(Cl)cccc2Cl)n(CC)n1
InChIInChI=1S/C15H18Cl2N2O/c1-3-10-8-14(19(4-2)18-10)15(20)9-11-12(16)6-5-7-13(11)17/h5-8,15,20H,3-4,9H2,1-2H3
InChIKeyQODPWQOOCWCIBS-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.05
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol

2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol (PubChem CID 105084690) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
PubChem CID105084690
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2c(Cl)cccc2Cl)n(CC)n1
InChIInChI=1S/C15H18Cl2N2O/c1-3-10-8-14(19(4-2)18-10)15(20)9-11-12(16)6-5-7-13(11)17/h5-8,15,20H,3-4,9H2,1-2H3
InChIKeyQODPWQOOCWCIBS-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 105079038
2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105105538
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103405
1-(1,3-diethylpyrazol-5-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 105115124
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 105117842
2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105087991
(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105119892
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105099735

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol (CID 105084690) is 2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol is CCc1cc(C(O)Cc2c(Cl)cccc2Cl)n(CC)n1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The InChIKey is QODPWQOOCWCIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-3-10-8-14(19(4-2)18-10)15(20)9-11-12(16)6-5-7-13(11)17/h5-8,15,20H,3-4,9H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol has a molecular weight of 313.23 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 105084690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).