1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine

C13H23N3 — CID 105163107

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1cc(C)nn1C
InChIInChI=1S/C13H23N3/c1-6-7-14-12(8-10(2)3)13-9-11(4)15-16(13)5/h9,12,14H,2,6-8H2,1,3-5H3
InChIKeyVDPJSUDWFYPBLA-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.74
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine

1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine (PubChem CID 105163107) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine
PubChem CID105163107
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1cc(C)nn1C
InChIInChI=1S/C13H23N3/c1-6-7-14-12(8-10(2)3)13-9-11(4)15-16(13)5/h9,12,14H,2,6-8H2,1,3-5H3
InChIKeyVDPJSUDWFYPBLA-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.74
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-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 105164051
1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
CID 105179663
1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 114984287
N-[1-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377138
N-[1-(2,5-dimethylpyrazol-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105161876
N-[2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 105190484
1-(3,4-dimethylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004182
N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 107561653
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol
CID 105110508
3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine
CID 114755354

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine (CID 105163107) is 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine?
The InChIKey is VDPJSUDWFYPBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-7-14-12(8-10(2)3)13-9-11(4)15-16(13)5/h9,12,14H,2,6-8H2,1,3-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 105163107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).