N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine

C11H19N3 — CID 102812552

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
SMILESC=CC(NCC)c1cn(C)nc1CC
InChIInChI=1S/C11H19N3/c1-5-10(12-7-3)9-8-14(4)13-11(9)6-2/h5,8,10,12H,1,6-7H2,2-4H3
InChIKeyKRXWRYGDURRMTD-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.82
Rot. Bonds5

About N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine

N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine (PubChem CID 102812552) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
PubChem CID102812552
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
SMILESC=CC(NCC)c1cn(C)nc1CC
InChIInChI=1S/C11H19N3/c1-5-10(12-7-3)9-8-14(4)13-11(9)6-2/h5,8,10,12H,1,6-7H2,2-4H3
InChIKeyKRXWRYGDURRMTD-UHFFFAOYSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanamine
CID 112671176
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
CID 102812165
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 102812485
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
CID 102812579
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 102812063
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine
CID 107012014
N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
CID 102812013
N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 102811928
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
CID 102812215
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 102812689

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine (CID 102812552) is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine is C=CC(NCC)c1cn(C)nc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine?
The InChIKey is KRXWRYGDURRMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-10(12-7-3)9-8-14(4)13-11(9)6-2/h5,8,10,12H,1,6-7H2,2-4H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 102812552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).