N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine

C11H19N3 — CID 79347675

IUPACN-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine
SMILESCCNCC=Cc1c(C)nn(C)c1C
InChIInChI=1S/C11H19N3/c1-5-12-8-6-7-11-9(2)13-14(4)10(11)3/h6-7,12H,5,8H2,1-4H3
InChIKeyHLSJQCHAOROARP-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.66
Rot. Bonds4

About N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine

N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine (PubChem CID 79347675) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine
PubChem CID79347675
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine
SMILESCCNCC=Cc1c(C)nn(C)c1C
InChIInChI=1S/C11H19N3/c1-5-12-8-6-7-11-9(2)13-14(4)10(11)3/h6-7,12H,5,8H2,1-4H3
InChIKeyHLSJQCHAOROARP-UHFFFAOYSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine (CID 79347675) is N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine is CCNCC=Cc1c(C)nn(C)c1C.
What is the InChIKey of N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine?
The InChIKey is HLSJQCHAOROARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-12-8-6-7-11-9(2)13-14(4)10(11)3/h6-7,12H,5,8H2,1-4H3.
What are the key properties of N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine?
N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine has a molecular weight of 193.29 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 N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 79347675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).