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

C12H21N3 — CID 102812579

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
SMILESCCc1nn(C)cc1C(C=C(C)C)NC
InChIInChI=1S/C12H21N3/c1-6-11-10(8-15(5)14-11)12(13-4)7-9(2)3/h7-8,12-13H,6H2,1-5H3
InChIKeyHUJUEBMAIBWVSK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.21
Rot. Bonds4

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

1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 102812579) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
PubChem CID102812579
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
SMILESCCc1nn(C)cc1C(C=C(C)C)NC
InChIInChI=1S/C12H21N3/c1-6-11-10(8-15(5)14-11)12(13-4)7-9(2)3/h7-8,12-13H,6H2,1-5H3
InChIKeyHUJUEBMAIBWVSK-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.21
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

1-(1,3-dimethylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
CID 102804044
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
CID 112671170
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
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)-2-methylprop-2-enyl]hydrazine
CID 102813156
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
CID 102812096
[1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbut-3-enyl]hydrazine
CID 102813154
1-cyclohexyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102811927

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine (CID 102812579) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine is CCc1nn(C)cc1C(C=C(C)C)NC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is HUJUEBMAIBWVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-11-10(8-15(5)14-11)12(13-4)7-9(2)3/h7-8,12-13H,6H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.21, 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,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 102812579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).