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

C14H15Cl3N2O2 — CID 2914947

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
SMILESCc1cc(C)n(CC(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
InChIKeyDUVGDCWOSNVLCA-UHFFFAOYSA-N
MW349.65 g/mol
LogP3.90
Rot. Bonds5

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

1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol (PubChem CID 2914947) has the molecular formula C14H15Cl3N2O2 and a molecular weight of 349.65 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
PubChem CID2914947
Molecular FormulaC14H15Cl3N2O2
Molecular Weight349.65 g/mol
Exact Mass348.02
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
SMILESCc1cc(C)n(CC(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
InChIKeyDUVGDCWOSNVLCA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol (CID 2914947) is 1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol is Cc1cc(C)n(CC(O)COc2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol?
The InChIKey is DUVGDCWOSNVLCA-UHFFFAOYSA-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.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol?
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 1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol is sourced from PubChem (CID 2914947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).