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

C14H16Cl2N2O2 — CID 3013454

IUPAC[5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol
SMILESCCc1c(CO)nn(CC)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c1-3-12-13(8-19)17-18(4-2)14(12)20-11-6-9(15)5-10(16)7-11/h5-7,19H,3-4,8H2,1-2H3
InChIKeyIPKFAFBOGLURAH-UHFFFAOYSA-N
MW315.20 g/mol
LogP4.06
Rot. Bonds5

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

[5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol (PubChem CID 3013454) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is [5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol
PubChem CID3013454
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name[5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol
SMILESCCc1c(CO)nn(CC)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c1-3-12-13(8-19)17-18(4-2)14(12)20-11-6-9(15)5-10(16)7-11/h5-7,19H,3-4,8H2,1-2H3
InChIKeyIPKFAFBOGLURAH-UHFFFAOYSA-N
XLogP4.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol?
The IUPAC name of [5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol (CID 3013454) is [5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol.
What is the SMILES notation for [5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol?
The canonical SMILES for [5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol is CCc1c(CO)nn(CC)c1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol?
The InChIKey is IPKFAFBOGLURAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-3-12-13(8-19)17-18(4-2)14(12)20-11-6-9(15)5-10(16)7-11/h5-7,19H,3-4,8H2,1-2H3.
What are the key properties of [5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol?
[5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol has a molecular weight of 315.20 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenoxy)-1,4-diethylpyrazol-3-yl]methanol is sourced from PubChem (CID 3013454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).