(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol

C14H15Cl3N2O2 — CID 807758

IUPAC(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
SMILESCc1cc(C)n(C[C@@H](O)COc2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl3N2O2/c1-8-3-9(2)19(18-8)6-11(20)7-21-14-12(16)4-10(15)5-13(14)17/h3-5,11,20H,6-7H2,1-2H3/t11-/m1/s1
InChIKeyDUVGDCWOSNVLCA-LLVKDONJSA-N
MW349.65 g/mol
LogP3.90
Rot. Bonds5

About (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol

(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol (PubChem CID 807758) has the molecular formula C14H15Cl3N2O2 and a molecular weight of 349.65 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
PubChem CID807758
Molecular FormulaC14H15Cl3N2O2
Molecular Weight349.65 g/mol
Exact Mass348.02
IUPAC Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
SMILESCc1cc(C)n(C[C@@H](O)COc2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl3N2O2/c1-8-3-9(2)19(18-8)6-11(20)7-21-14-12(16)4-10(15)5-13(14)17/h3-5,11,20H,6-7H2,1-2H3/t11-/m1/s1
InChIKeyDUVGDCWOSNVLCA-LLVKDONJSA-N
XLogP3.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[3-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1203734
1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol
CID 63988452
1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 15943427
1-(3,6-dichlorocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 3101122
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 1094986
1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 43531447
1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 16642389
[(2R)-2-hydroxy-3-(2,4,6-trichlorophenoxy)propyl]-dimethylazanium
CID 1409843
1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol
CID 82087522
2-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-6-methylpyridazin-3-one
CID 110929790
1,3-bis[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]propan-2-ol
CID 15763415

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol (CID 807758) is (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol is Cc1cc(C)n(C[C@@H](O)COc2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The InChIKey is DUVGDCWOSNVLCA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15Cl3N2O2/c1-8-3-9(2)19(18-8)6-11(20)7-21-14-12(16)4-10(15)5-13(14)17/h3-5,11,20H,6-7H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol?
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol has a molecular weight of 349.65 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol is sourced from PubChem (CID 807758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).