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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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).