[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol

C12H12Cl2N2O2 — CID 54898382

IUPAC[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(C)c(Oc2ccc(Cl)c(Cl)c2)c1CO
InChIInChI=1S/C12H12Cl2N2O2/c1-7-9(6-17)12(16(2)15-7)18-8-3-4-10(13)11(14)5-8/h3-5,17H,6H2,1-2H3
InChIKeyIXNKTYYIKRPGFS-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.32
Rot. Bonds3

About [5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol

[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 54898382) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is [5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID54898382
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(C)c(Oc2ccc(Cl)c(Cl)c2)c1CO
InChIInChI=1S/C12H12Cl2N2O2/c1-7-9(6-17)12(16(2)15-7)18-8-3-4-10(13)11(14)5-8/h3-5,17H,6H2,1-2H3
InChIKeyIXNKTYYIKRPGFS-UHFFFAOYSA-N
XLogP3.32
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol (CID 54898382) is [5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol is Cc1nn(C)c(Oc2ccc(Cl)c(Cl)c2)c1CO.
What is the InChIKey of [5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is IXNKTYYIKRPGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-7-9(6-17)12(16(2)15-7)18-8-3-4-10(13)11(14)5-8/h3-5,17H,6H2,1-2H3.
What are the key properties of [5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 287.15 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 54898382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).