1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine

C13H26N4 — CID 105293836

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
SMILESCCCCC(CCc1c(C)nn(C)c1C)NN
InChIInChI=1S/C13H26N4/c1-5-6-7-12(15-14)8-9-13-10(2)16-17(4)11(13)3/h12,15H,5-9,14H2,1-4H3
InChIKeyLRYONJVUJFYTLL-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.99
Rot. Bonds7

About 1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine

1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine (PubChem CID 105293836) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
PubChem CID105293836
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
SMILESCCCCC(CCc1c(C)nn(C)c1C)NN
InChIInChI=1S/C13H26N4/c1-5-6-7-12(15-14)8-9-13-10(2)16-17(4)11(13)3/h12,15H,5-9,14H2,1-4H3
InChIKeyLRYONJVUJFYTLL-UHFFFAOYSA-N
XLogP1.99
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.99
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'}

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Related Compounds

1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
[1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105296462
[6-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 105314157
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
[1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105310364
[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105334822
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine
CID 107011559
[1-(1-propylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105288593

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine (CID 105293836) is 1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine is CCCCC(CCc1c(C)nn(C)c1C)NN.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine?
The InChIKey is LRYONJVUJFYTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-6-7-12(15-14)8-9-13-10(2)16-17(4)11(13)3/h12,15H,5-9,14H2,1-4H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine?
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine has a molecular weight of 238.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine is sourced from PubChem (CID 105293836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).