1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol

C12H12Cl2N2O2 — CID 109411596

IUPAC1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(COc1ccc(Cl)cc1Cl)Cn1cccn1
InChIInChI=1S/C12H12Cl2N2O2/c13-9-2-3-12(11(14)6-9)18-8-10(17)7-16-5-1-4-15-16/h1-6,10,17H,7-8H2
InChIKeyKNVZAOIMHPJKCM-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.63
Rot. Bonds5

About 1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol

1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 109411596) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol
PubChem CID109411596
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(COc1ccc(Cl)cc1Cl)Cn1cccn1
InChIInChI=1S/C12H12Cl2N2O2/c13-9-2-3-12(11(14)6-9)18-8-10(17)7-16-5-1-4-15-16/h1-6,10,17H,7-8H2
InChIKeyKNVZAOIMHPJKCM-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2,4-dichlorophenoxy)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 697663
(2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 31061722
1-[4-[(2R)-2-hydroxy-3-pyrazol-1-ylpropoxy]-3-methoxyphenyl]ethanone
CID 7444923
1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2918767
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
1-(4-benzhydrylpiperazin-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 2917495
(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 40793174
(2R)-1-(2,4-dichlorophenoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 51873051
(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7157659
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462609
3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
CID 39972535

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol (CID 109411596) is 1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol is OC(COc1ccc(Cl)cc1Cl)Cn1cccn1.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is KNVZAOIMHPJKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c13-9-2-3-12(11(14)6-9)18-8-10(17)7-16-5-1-4-15-16/h1-6,10,17H,7-8H2.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol?
1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 287.15 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 109411596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).