1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine

C9H15N3 — CID 105108352

IUPAC1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine
SMILESC=CCC(N)c1cnn(C)c1C
InChIInChI=1S/C9H15N3/c1-4-5-9(10)8-6-11-12(3)7(8)2/h4,6,9H,1,5,10H2,2-3H3
InChIKeyOOOMBCCQSIZATN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.30
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine

1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine (PubChem CID 105108352) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine
PubChem CID105108352
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine
SMILESC=CCC(N)c1cnn(C)c1C
InChIInChI=1S/C9H15N3/c1-4-5-9(10)8-6-11-12(3)7(8)2/h4,6,9H,1,5,10H2,2-3H3
InChIKeyOOOMBCCQSIZATN-UHFFFAOYSA-N
XLogP1.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.30
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-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine
CID 105153472
1-(5-iodo-1-methylpyrazol-4-yl)but-3-en-1-amine
CID 131110894
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine
CID 105112423
1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 105156405
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
CID 105126212
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114026
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol
CID 107012235
1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
CID 105161099
3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine
CID 55291746

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine (CID 105108352) is 1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine is C=CCC(N)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine?
The InChIKey is OOOMBCCQSIZATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-5-9(10)8-6-11-12(3)7(8)2/h4,6,9H,1,5,10H2,2-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine?
1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine is sourced from PubChem (CID 105108352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).