1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine

C12H19N3 — CID 105158441

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1cc(CC)nn1C
InChIInChI=1S/C12H19N3/c1-5-8-13-11(7-3)12-9-10(6-2)14-15(12)4/h3,9,11,13H,5-6,8H2,1-2,4H3
InChIKeyXWZCWZGGAYFVQU-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.66
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine (PubChem CID 105158441) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine
PubChem CID105158441
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1cc(CC)nn1C
InChIInChI=1S/C12H19N3/c1-5-8-13-11(7-3)12-9-10(6-2)14-15(12)4/h3,9,11,13H,5-6,8H2,1-2,4H3
InChIKeyXWZCWZGGAYFVQU-UHFFFAOYSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylprop-2-yn-1-amine
CID 105158193
1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105185155
N-[(3-ethyl-1-methylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105104032
N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 105150113
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105182286
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylprop-2-yn-1-amine
CID 102812510
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106657172
N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105142319
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine
CID 105179702
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 105091416

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine (CID 105158441) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine is C#CC(NCCC)c1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine?
The InChIKey is XWZCWZGGAYFVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-8-13-11(7-3)12-9-10(6-2)14-15(12)4/h3,9,11,13H,5-6,8H2,1-2,4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine is sourced from PubChem (CID 105158441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).