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

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Related Compounds

2-[4-[(3,5-Dichlorophenyl)methyl]-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9923413
2-[4-[(3,5-Dichlorophenyl)methyl]-3-isopropyl-5-methyl-pyrazol-1-yl]ethanol
CID 9945237
2-[4-[(3,5-Dichlorophenyl)methyl]-5-ethyl-3-methyl-pyrazol-1-yl]ethanol
CID 9966562
2-[4-[(3,5-Dichlorophenyl)methyl]-3-ethyl-5-methyl-pyrazol-1-yl]ethanol
CID 9966563
2-[4-[(3,5-Dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 10109513
2-[4-[(3,5-Dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 10155018
2-[4-[(3,5-Dichlorophenyl)methyl]-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 10292383
2-[4-[(3,5-Dichlorophenyl)-methoxy-methyl]-3,5-diethyl-pyrazol-1-yl]ethanol
CID 21877060
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-propanol
CID 3756816
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-ethanol
CID 3838438
{3-(3-chlorobenzyl)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16187342
{3-(3-chlorobenzyl)-1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16191750

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).