1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine

C14H25N3 — CID 116660904

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
SMILESC=CCC(Cc1cc(CC)nn1C)NCCC
InChIInChI=1S/C14H25N3/c1-5-8-13(15-9-6-2)11-14-10-12(7-3)16-17(14)4/h5,10,13,15H,1,6-9,11H2,2-4H3
InChIKeyRKSRVKYUVOBPLE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.47
Rot. Bonds8

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine (PubChem CID 116660904) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
PubChem CID116660904
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
SMILESC=CCC(Cc1cc(CC)nn1C)NCCC
InChIInChI=1S/C14H25N3/c1-5-8-13(15-9-6-2)11-14-10-12(7-3)16-17(14)4/h5,10,13,15H,1,6-9,11H2,2-4H3
InChIKeyRKSRVKYUVOBPLE-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.47
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-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105160117
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627877
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 104999026
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105160172
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81020037
N-propylhepta-1,6-dien-4-amine
CID 88756960
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105160170

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine (CID 116660904) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine is C=CCC(Cc1cc(CC)nn1C)NCCC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine?
The InChIKey is RKSRVKYUVOBPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-8-13(15-9-6-2)11-14-10-12(7-3)16-17(14)4/h5,10,13,15H,1,6-9,11H2,2-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.47, 8 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-5-yl)-N-propylpent-4-en-2-amine is sourced from PubChem (CID 116660904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).