N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C13H20ClN5O — CID 106417289

IUPACN-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCc1nn(CC)c(CNCCc2nc(C)no2)c1Cl
InChIInChI=1S/C13H20ClN5O/c1-4-10-13(14)11(19(5-2)17-10)8-15-7-6-12-16-9(3)18-20-12/h15H,4-8H2,1-3H3
InChIKeyXLFJOEQBRVXHLU-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.14
Rot. Bonds7

About N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 106417289) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID106417289
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC NameN-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCc1nn(CC)c(CNCCc2nc(C)no2)c1Cl
InChIInChI=1S/C13H20ClN5O/c1-4-10-13(14)11(19(5-2)17-10)8-15-7-6-12-16-9(3)18-20-12/h15H,4-8H2,1-3H3
InChIKeyXLFJOEQBRVXHLU-UHFFFAOYSA-N
XLogP2.14
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106416472
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-7-methyloctan-1-amine
CID 107815099
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104808
N-[(2-chlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648016
5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol
CID 114147580
N-[(2,5-dichlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103845009
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455672
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293882
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186716
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]ethanamine
CID 166235155
4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide
CID 79377561

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 106417289) is N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is CCc1nn(CC)c(CNCCc2nc(C)no2)c1Cl.
What is the InChIKey of N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is XLFJOEQBRVXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-4-10-13(14)11(19(5-2)17-10)8-15-7-6-12-16-9(3)18-20-12/h15H,4-8H2,1-3H3.
What are the key properties of N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 297.79 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 106417289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).