4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine

C8H15N5 — CID 105230875

IUPAC4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine
SMILESC=CCC(NN)c1cnn(C)c1N
InChIInChI=1S/C8H15N5/c1-3-4-7(12-10)6-5-11-13(2)8(6)9/h3,5,7,12H,1,4,9-10H2,2H3
InChIKeyXAWYNSMVZDRGAB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.08
Rot. Bonds4

About 4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine

4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine (PubChem CID 105230875) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine
PubChem CID105230875
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine
SMILESC=CCC(NN)c1cnn(C)c1N
InChIInChI=1S/C8H15N5/c1-3-4-7(12-10)6-5-11-13(2)8(6)9/h3,5,7,12H,1,4,9-10H2,2H3
InChIKeyXAWYNSMVZDRGAB-UHFFFAOYSA-N
XLogP0.08
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 84107341
1-Methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine
CID 105230684
1-Methyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)pyrazol-5-amine
CID 105230789
4-(3-Aminopropyl)-1-methyl-1H-pyrazol-5-amine
CID 11586329
4-(2-Aminoethyl)-1-methyl-1H-pyrazol-5-amine
CID 17961977
3-(5-Amino-1-methylpyrazol-4-yl)propylamine dihydrochloride
CID 17962033
N-[3-(5-amino-1-methylpyrazol-4-yl)propyl]formamide
CID 17962035
4-(3-Aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine
CID 59731826
(1,4-Dipropylpyrazol-5-yl)hydrazine
CID 69433978
(1,4-Diethylpyrazol-5-yl)hydrazine;hydrobromide
CID 69434989
1-(5-Amino-1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
CID 69726171
1-Methyl-4-propyl-1H-pyrazol-5-amine
CID 79404972

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine (CID 105230875) is 4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine is C=CCC(NN)c1cnn(C)c1N.
What is the InChIKey of 4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine?
The InChIKey is XAWYNSMVZDRGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-3-4-7(12-10)6-5-11-13(2)8(6)9/h3,5,7,12H,1,4,9-10H2,2H3.
What are the key properties of 4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine?
4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine has a molecular weight of 181.24 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydrazinylbut-3-enyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 105230875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).