N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine

C11H21N3 — CID 112671374

IUPACN-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cn(C)nc1CC
InChIInChI=1S/C11H21N3/c1-4-7-12-8-6-10-9-14(3)13-11(10)5-2/h9,12H,4-8H2,1-3H3
InChIKeyVJXAAYAWKJKVCU-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.52
Rot. Bonds6

About N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 112671374) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID112671374
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cn(C)nc1CC
InChIInChI=1S/C11H21N3/c1-4-7-12-8-6-10-9-14(3)13-11(10)5-2/h9,12H,4-8H2,1-3H3
InChIKeyVJXAAYAWKJKVCU-UHFFFAOYSA-N
XLogP1.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 112671485
N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66008721
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 112549489
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
3,4-dibutyl-1-methylpyrazole
CID 57481981
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 112549165
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 112549377
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 112549443
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112549267
2-(azepan-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549234

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 112671374) is N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCCNCCc1cn(C)nc1CC.
What is the InChIKey of N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is VJXAAYAWKJKVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-7-12-8-6-10-9-14(3)13-11(10)5-2/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 112671374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).