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

C17H23Cl2N3O — CID 173163505

IUPAC2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine
SMILESCCNCCn1nc(CC)c(Oc2cc(Cl)cc(Cl)c2)c1CC
InChIInChI=1S/C17H23Cl2N3O/c1-4-15-17(23-14-10-12(18)9-13(19)11-14)16(5-2)22(21-15)8-7-20-6-3/h9-11,20H,4-8H2,1-3H3
InChIKeyILGBKJVLQGTNSU-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.72
Rot. Bonds8

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

2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine (PubChem CID 173163505) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine
PubChem CID173163505
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine
SMILESCCNCCn1nc(CC)c(Oc2cc(Cl)cc(Cl)c2)c1CC
InChIInChI=1S/C17H23Cl2N3O/c1-4-15-17(23-14-10-12(18)9-13(19)11-14)16(5-2)22(21-15)8-7-20-6-3/h9-11,20H,4-8H2,1-3H3
InChIKeyILGBKJVLQGTNSU-UHFFFAOYSA-N
XLogP4.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.72
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-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]ethanamine
CID 10268315
2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
CID 10273089
tert-butyl 4-[4-(3,5-dichlorophenoxy)-3-ethyl-5-(pyrazol-1-ylmethyl)pyrazol-1-yl]butanoate
CID 58077325
3-(3,5-dichlorophenoxy)-2-ethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 58077323
2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]-N-methylethanamine;2,2-difluoroacetaldehyde
CID 142107311
2-[4-(3,5-dicyanophenoxy)-3,5-diethylpyrazol-1-yl]ethyl hydrogen sulfate
CID 155928812
4-(1,3,5-triethylpyrazol-4-yl)oxybenzonitrile
CID 68918134
3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(triazol-2-yl)benzonitrile
CID 69360823
2-[4-(3,5-dicyanophenoxy)-3,5-diethylpyrazol-1-yl]acetic acid
CID 69361841
5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-2-methylsulfanylbenzonitrile
CID 142181292
4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
CID 58077329
3-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-(2,3-dimethyl-5-oxopyrazol-1-yl)benzamide
CID 69362216

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine?
The IUPAC name of 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine (CID 173163505) is 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine?
The canonical SMILES for 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine is CCNCCn1nc(CC)c(Oc2cc(Cl)cc(Cl)c2)c1CC.
What is the InChIKey of 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine?
The InChIKey is ILGBKJVLQGTNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c1-4-15-17(23-14-10-12(18)9-13(19)11-14)16(5-2)22(21-15)8-7-20-6-3/h9-11,20H,4-8H2,1-3H3.
What are the key properties of 2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine?
2-[4-(3,5-dichlorophenoxy)-3,5-diethylpyrazol-1-yl]-N-ethylethanamine has a molecular weight of 356.30 g/mol, XLogP of 4.72, 8 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]-N-ethylethanamine is sourced from PubChem (CID 173163505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).