ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen

C8H15N3 — CID 142384177

IUPACethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen
SMILESC=Cc1cn[nH]c1N=C.CC.[H][H]
InChIInChI=1S/C6H7N3.C2H6.H2/c1-3-5-4-8-9-6(5)7-2;1-2;/h3-4H,1-2H2,(H,8,9);1-2H3;1H
InChIKeyRGMHOLFSPUGKEK-UHFFFAOYSA-N
MW153.23 g/mol
LogP2.66
Rot. Bonds2

About ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen

ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen (PubChem CID 142384177) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen
PubChem CID142384177
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Nameethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen
SMILESC=Cc1cn[nH]c1N=C.CC.[H][H]
InChIInChI=1S/C6H7N3.C2H6.H2/c1-3-5-4-8-9-6(5)7-2;1-2;/h3-4H,1-2H2,(H,8,9);1-2H3;1H
InChIKeyRGMHOLFSPUGKEK-UHFFFAOYSA-N
XLogP2.66
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen?
The IUPAC name of ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen (CID 142384177) is ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen.
What is the SMILES notation for ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen?
The canonical SMILES for ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen is C=Cc1cn[nH]c1N=C.CC.[H][H].
What is the InChIKey of ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen?
The InChIKey is RGMHOLFSPUGKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.C2H6.H2/c1-3-5-4-8-9-6(5)7-2;1-2;/h3-4H,1-2H2,(H,8,9);1-2H3;1H.
What are the key properties of ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen?
ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen has a molecular weight of 153.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethenyl-1H-pyrazol-5-yl)methanimine;molecular hydrogen is sourced from PubChem (CID 142384177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).