1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine

C12H19N3 — CID 102812096

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)c1cn(C)nc1CC
InChIInChI=1S/C12H19N3/c1-5-7-8-12(13-3)10-9-15(4)14-11(10)6-2/h9,12-13H,6,8H2,1-4H3
InChIKeyMRPSMHAXUCYCSJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.66
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine (PubChem CID 102812096) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
PubChem CID102812096
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)c1cn(C)nc1CC
InChIInChI=1S/C12H19N3/c1-5-7-8-12(13-3)10-9-15(4)14-11(10)6-2/h9,12-13H,6,8H2,1-4H3
InChIKeyMRPSMHAXUCYCSJ-UHFFFAOYSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
CID 112671468
2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812422
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine
CID 107011544
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
CID 112671170
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102812652
2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812752
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
1-cyclohexyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102811927
2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812500
2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812659

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine (CID 102812096) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine is CC#CCC(NC)c1cn(C)nc1CC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine?
The InChIKey is MRPSMHAXUCYCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-7-8-12(13-3)10-9-15(4)14-11(10)6-2/h9,12-13H,6,8H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.66, 4 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-4-yl)-N-methylpent-3-yn-1-amine is sourced from PubChem (CID 102812096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).