5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine

C12H21N3 — CID 104583949

IUPAC5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine
SMILESC=CCCC(C)Nc1n[nH]c(CC)c1C
InChIInChI=1S/C12H21N3/c1-5-7-8-9(3)13-12-10(4)11(6-2)14-15-12/h5,9H,1,6-8H2,2-4H3,(H2,13,14,15)
InChIKeyGOGXFFOBEXDDQI-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.05
Rot. Bonds6

About 5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine

5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine (PubChem CID 104583949) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine
PubChem CID104583949
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine
SMILESC=CCCC(C)Nc1n[nH]c(CC)c1C
InChIInChI=1S/C12H21N3/c1-5-7-8-9(3)13-12-10(4)11(6-2)14-15-12/h5,9H,1,6-8H2,2-4H3,(H2,13,14,15)
InChIKeyGOGXFFOBEXDDQI-UHFFFAOYSA-N
XLogP3.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-N-methyl-1H-pyrazol-3-amine
CID 13491754
3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridine
CID 136308590
5-ethyl-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine
CID 97797604
N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70435083
N-methyl-4-(2-methyl-3-methylidenehex-4-en-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 123530644
(3E,5E)-5-fluoro-2-(5-methyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl)hepta-1,3,5-trien-4-amine
CID 137199184
3,6-Dimethyl-4,7-dihydro-2h-pyrazolo[3,4-b]pyridine
CID 175679326
5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine
CID 115921335
N-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 21786062
5-tert-butyl-N-ethyl-1H-pyrazol-3-amine
CID 20699952
N-methyl-5-(propan-2-yl)-1H-pyrazol-3-amine
CID 54595009
5-tert-butyl-N-pentyl-1H-pyrazol-3-amine
CID 57127337

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine (CID 104583949) is 5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine is C=CCCC(C)Nc1n[nH]c(CC)c1C.
What is the InChIKey of 5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine?
The InChIKey is GOGXFFOBEXDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-7-8-9(3)13-12-10(4)11(6-2)14-15-12/h5,9H,1,6-8H2,2-4H3,(H2,13,14,15).
What are the key properties of 5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine?
5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine has a molecular weight of 207.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-hex-5-en-2-yl-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 104583949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).