2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol

C16H20Cl2N2O2 — CID 68710129

IUPAC2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol
SMILESCCCCCc1c(C)nn(C)c1Oc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-4-5-6-7-11-10(2)19-20(3)16(11)22-15-9-14(21)12(17)8-13(15)18/h8-9,21H,4-7H2,1-3H3
InChIKeyNCJWFOABJQMGDR-UHFFFAOYSA-N
MW343.25 g/mol
LogP5.27
Rot. Bonds6

About 2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol

2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol (PubChem CID 68710129) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol.

Molecular Properties

Compound Name2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol
PubChem CID68710129
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol
SMILESCCCCCc1c(C)nn(C)c1Oc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-4-5-6-7-11-10(2)19-20(3)16(11)22-15-9-14(21)12(17)8-13(15)18/h8-9,21H,4-7H2,1-3H3
InChIKeyNCJWFOABJQMGDR-UHFFFAOYSA-N
XLogP5.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.25
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol
CID 68710448
4-(chloromethyl)-1,3-dimethyl-5-(2,4,5-trichlorophenoxy)pyrazole
CID 28964659
ethyl (E)-3-[5-(2,4-dichloro-5-hydroxyphenoxy)-1,3-dimethylpyrazol-4-yl]prop-2-enoate
CID 86638209
2,4-dichloro-5-[4-(3-hydroxy-3-methylbut-1-enyl)-1,3-dimethylpyrazol-5-yl]oxyphenol
CID 68709941
2-[2,4-dichloro-5-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenoxy]propanoic acid
CID 68711653
4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole
CID 28964844
methyl (2S)-2-[2,4-dichloro-5-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenoxy]propanoate
CID 86638263
methyl (2S)-2-[2,4-dichloro-5-[4-(methoxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenoxy]propanoate
CID 91505394
3-cyclopropyl-5-(2,4-dichloro-5-hydroxyphenoxy)-1-methylpyrazole-4-carbaldehyde
CID 87545488
(2S)-2-[5-(4-benzyl-1,3-dimethylpyrazol-5-yl)oxy-2,4-dichlorophenoxy]propanoic acid
CID 68714908
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706
[5-(4,5-dichloro-2-nitrophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 107500283

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol?
The IUPAC name of 2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol (CID 68710129) is 2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol.
What is the SMILES notation for 2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol?
The canonical SMILES for 2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol is CCCCCc1c(C)nn(C)c1Oc1cc(O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol?
The InChIKey is NCJWFOABJQMGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-4-5-6-7-11-10(2)19-20(3)16(11)22-15-9-14(21)12(17)8-13(15)18/h8-9,21H,4-7H2,1-3H3.
What are the key properties of 2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol?
2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol has a molecular weight of 343.25 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(1,3-dimethyl-4-pentylpyrazol-5-yl)oxyphenol is sourced from PubChem (CID 68710129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).