[1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine

C17H28N4 — CID 103025866

IUPAC[1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
SMILESCn1cc(CCC(NN)C2C3CC4CC(C3)CC2C4)cn1
InChIInChI=1S/C17H28N4/c1-21-10-11(9-19-21)2-3-16(20-18)17-14-5-12-4-13(7-14)8-15(17)6-12/h9-10,12-17,20H,2-8,18H2,1H3
InChIKeyQIJMNZOGBKKGAK-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.26
Rot. Bonds5

About [1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine

[1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine (PubChem CID 103025866) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is [1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
PubChem CID103025866
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name[1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
SMILESCn1cc(CCC(NN)C2C3CC4CC(C3)CC2C4)cn1
InChIInChI=1S/C17H28N4/c1-21-10-11(9-19-21)2-3-16(20-18)17-14-5-12-4-13(7-14)8-15(17)6-12/h9-10,12-17,20H,2-8,18H2,1H3
InChIKeyQIJMNZOGBKKGAK-UHFFFAOYSA-N
XLogP2.26
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.26
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-(4,4-Difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025552
[3-(1-Methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propyl]hydrazine
CID 103025606
[3-(1-Methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine
CID 103025659
[3-(1-Methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine
CID 103025745
[(1-Propylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105288566
[(1-Propylpyrazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105288591
[(1-Propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105288628
[(1-Methylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105288747
[(4,4-Difluorocyclohexyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288751
[(1-Methylpyrazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105288768
[(1-Methylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105288801
[(1-Ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105289867

Frequently Asked Questions

What is the IUPAC name of [1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine?
The IUPAC name of [1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine (CID 103025866) is [1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine.
What is the SMILES notation for [1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine?
The canonical SMILES for [1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine is Cn1cc(CCC(NN)C2C3CC4CC(C3)CC2C4)cn1.
What is the InChIKey of [1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine?
The InChIKey is QIJMNZOGBKKGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-21-10-11(9-19-21)2-3-16(20-18)17-14-5-12-4-13(7-14)8-15(17)6-12/h9-10,12-17,20H,2-8,18H2,1H3.
What are the key properties of [1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine?
[1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine has a molecular weight of 288.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-adamantyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine is sourced from PubChem (CID 103025866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).