5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine

C13H23N3 — CID 79592685

IUPAC5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine
SMILESCCC(C)n1ccc(CC(C)=CCCN)n1
InChIInChI=1S/C13H23N3/c1-4-12(3)16-9-7-13(15-16)10-11(2)6-5-8-14/h6-7,9,12H,4-5,8,10,14H2,1-3H3
InChIKeyPNDATCGRJSBOMB-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.69
Rot. Bonds6

About 5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine

5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine (PubChem CID 79592685) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine
PubChem CID79592685
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine
SMILESCCC(C)n1ccc(CC(C)=CCCN)n1
InChIInChI=1S/C13H23N3/c1-4-12(3)16-9-7-13(15-16)10-11(2)6-5-8-14/h6-7,9,12H,4-5,8,10,14H2,1-3H3
InChIKeyPNDATCGRJSBOMB-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 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 ≤ 52.69
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-(aminomethyl)cyclopropyl]-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116601130
1-(1-butan-2-ylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103446393
1-[4-(2-aminoethyl)phenyl]-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116577602
1-(1-butan-2-ylpyrazol-3-yl)but-3-en-2-one
CID 103453597
3-(aminomethyl)-1-(1-butan-2-ylpyrazol-3-yl)-5-methylhexan-2-one
CID 116597833
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116604011
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
1-(1-butan-2-ylpyrazol-3-yl)-3-(dimethylamino)propan-2-one
CID 79078118
1-(1-butan-2-ylpyrazol-3-yl)-3-methylhexan-2-one
CID 114975559
1-(1-butan-2-ylpyrazol-3-yl)-3-(4-chlorophenyl)propan-2-one
CID 64783913
1-(4-aminophenyl)-3-(1-butan-2-ylpyrazol-3-yl)propan-2-one
CID 116549421
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775

Frequently Asked Questions

What is the IUPAC name of 5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine (CID 79592685) is 5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine is CCC(C)n1ccc(CC(C)=CCCN)n1.
What is the InChIKey of 5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine?
The InChIKey is PNDATCGRJSBOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-12(3)16-9-7-13(15-16)10-11(2)6-5-8-14/h6-7,9,12H,4-5,8,10,14H2,1-3H3.
What are the key properties of 5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine?
5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butan-2-ylpyrazol-3-yl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79592685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).