N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine

C12H19N3 — CID 115885749

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1cn(C)nc1CC
InChIInChI=1S/C12H19N3/c1-4-6-7-8-13-9-11-10-15(3)14-12(11)5-2/h1,10,13H,5-9H2,2-3H3
InChIKeyUCKNWOWOQCNPIK-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.49
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine (PubChem CID 115885749) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine
PubChem CID115885749
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1cn(C)nc1CC
InChIInChI=1S/C12H19N3/c1-4-6-7-8-13-9-11-10-15(3)14-12(11)5-2/h1,10,13H,5-9H2,2-3H3
InChIKeyUCKNWOWOQCNPIK-UHFFFAOYSA-N
XLogP1.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112549208
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 103893940
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115885755
2-(azepan-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549234
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 112669088
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]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 115885360
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 112549263
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112549169
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pent-4-yn-1-amine
CID 106221303

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine (CID 115885749) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine is C#CCCCNCc1cn(C)nc1CC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine?
The InChIKey is UCKNWOWOQCNPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-6-7-8-13-9-11-10-15(3)14-12(11)5-2/h1,10,13H,5-9H2,2-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine is sourced from PubChem (CID 115885749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).