N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine

C13H25N3O — CID 119051602

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine
SMILESCc1c(CN(C)CCOCC(C)C)cnn1C
InChIInChI=1S/C13H25N3O/c1-11(2)10-17-7-6-15(4)9-13-8-14-16(5)12(13)3/h8,11H,6-7,9-10H2,1-5H3
InChIKeyMSQDQEKPBLKNSA-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.83
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine (PubChem CID 119051602) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine
PubChem CID119051602
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine
SMILESCc1c(CN(C)CCOCC(C)C)cnn1C
InChIInChI=1S/C13H25N3O/c1-11(2)10-17-7-6-15(4)9-13-8-14-16(5)12(13)3/h8,11H,6-7,9-10H2,1-5H3
InChIKeyMSQDQEKPBLKNSA-UHFFFAOYSA-N
XLogP1.83
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine (CID 119051602) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine is Cc1c(CN(C)CCOCC(C)C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine?
The InChIKey is MSQDQEKPBLKNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)10-17-7-6-15(4)9-13-8-14-16(5)12(13)3/h8,11H,6-7,9-10H2,1-5H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 119051602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).