2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine

C15H19Cl2N3O — CID 10268315

IUPAC2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine
SMILESCCc1nn(CCN)c(CC)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H19Cl2N3O/c1-3-13-15(14(4-2)20(19-13)6-5-18)21-12-8-10(16)7-11(17)9-12/h7-9H,3-6,18H2,1-2H3
InChIKeyWHIHJIHBDBTVEQ-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.07
Rot. Bonds6

About 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine

2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine (PubChem CID 10268315) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine
PubChem CID10268315
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine
SMILESCCc1nn(CCN)c(CC)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H19Cl2N3O/c1-3-13-15(14(4-2)20(19-13)6-5-18)21-12-8-10(16)7-11(17)9-12/h7-9H,3-6,18H2,1-2H3
InChIKeyWHIHJIHBDBTVEQ-UHFFFAOYSA-N
XLogP4.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine (CID 10268315) is 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine is CCc1nn(CCN)c(CC)c1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine?
The InChIKey is WHIHJIHBDBTVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-3-13-15(14(4-2)20(19-13)6-5-18)21-12-8-10(16)7-11(17)9-12/h7-9H,3-6,18H2,1-2H3.
What are the key properties of 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine?
2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine has a molecular weight of 328.24 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine is sourced from PubChem (CID 10268315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).