1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine

C8H12N4 — CID 105228420

IUPAC1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cnn(C)c1
InChIInChI=1S/C8H12N4/c1-3-4-8(11-9)7-5-10-12(2)6-7/h1,5-6,8,11H,4,9H2,2H3
InChIKeyOWFZYUXVSGLDRM-UHFFFAOYSA-N
MW164.21 g/mol
LogP-0.05
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine

1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine (PubChem CID 105228420) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine
PubChem CID105228420
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1cnn(C)c1
InChIInChI=1S/C8H12N4/c1-3-4-8(11-9)7-5-10-12(2)6-7/h1,5-6,8,11H,4,9H2,2H3
InChIKeyOWFZYUXVSGLDRM-UHFFFAOYSA-N
XLogP-0.05
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
1-(1-methylpyrazol-4-yl)hexylhydrazine
CID 105228484
[3-cyclopentyl-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105288733
[2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105235895
[2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237349
[2-methoxy-1-(1-methylpyrazol-4-yl)butyl]hydrazine
CID 105270600
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
1-methyl-4-pent-1-yn-3-ylpyrazole
CID 171526023
N-ethyl-1-(1-methylpyrazol-4-yl)pent-3-yn-1-amine
CID 65200186
[1-(1-methylpyrazol-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105228507
[2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105228370
[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237107

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine (CID 105228420) is 1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine is C#CCC(NN)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine?
The InChIKey is OWFZYUXVSGLDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-4-8(11-9)7-5-10-12(2)6-7/h1,5-6,8,11H,4,9H2,2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine?
1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine has a molecular weight of 164.21 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine is sourced from PubChem (CID 105228420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).