N-(2-ethenylpyrazol-3-yl)propan-1-imine

C8H11N3 — CID 123421640

IUPACN-(2-ethenylpyrazol-3-yl)propan-1-imine
SMILESC=Cn1nccc1N=CCC
InChIInChI=1S/C8H11N3/c1-3-6-9-8-5-7-10-11(8)4-2/h4-7H,2-3H2,1H3
InChIKeyGLNPKQMFYQDCIC-UHFFFAOYSA-N
MW149.20 g/mol
LogP2.10
Rot. Bonds3

About N-(2-ethenylpyrazol-3-yl)propan-1-imine

N-(2-ethenylpyrazol-3-yl)propan-1-imine (PubChem CID 123421640) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-(2-ethenylpyrazol-3-yl)propan-1-imine.

Molecular Properties

Compound NameN-(2-ethenylpyrazol-3-yl)propan-1-imine
PubChem CID123421640
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-(2-ethenylpyrazol-3-yl)propan-1-imine
SMILESC=Cn1nccc1N=CCC
InChIInChI=1S/C8H11N3/c1-3-6-9-8-5-7-10-11(8)4-2/h4-7H,2-3H2,1H3
InChIKeyGLNPKQMFYQDCIC-UHFFFAOYSA-N
XLogP2.10
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2H-pyrazol-3-ylamine
CID 136927
1-Methyl-3-aminopyrazole
CID 137254
1-Ethyl-1H-pyrazol-5-amine
CID 337310
1-(propan-2-yl)-1H-pyrazol-5-amine
CID 1090341
1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-(2-methylpropyl)-1H-pyrazol-5-amine
CID 4962021
1-cyclopentyl-1H-pyrazol-5-amine
CID 1079792
1-(propan-2-yl)-1H-pyrazol-3-amine
CID 19576797
1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-amine
CID 47002600
1-Butyl-1H-pyrazol-5-amine
CID 642216
3-azido-1-methyl-1H-pyrazole
CID 21680106

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylpyrazol-3-yl)propan-1-imine?
The IUPAC name of N-(2-ethenylpyrazol-3-yl)propan-1-imine (CID 123421640) is N-(2-ethenylpyrazol-3-yl)propan-1-imine.
What is the SMILES notation for N-(2-ethenylpyrazol-3-yl)propan-1-imine?
The canonical SMILES for N-(2-ethenylpyrazol-3-yl)propan-1-imine is C=Cn1nccc1N=CCC.
What is the InChIKey of N-(2-ethenylpyrazol-3-yl)propan-1-imine?
The InChIKey is GLNPKQMFYQDCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-6-9-8-5-7-10-11(8)4-2/h4-7H,2-3H2,1H3.
What are the key properties of N-(2-ethenylpyrazol-3-yl)propan-1-imine?
N-(2-ethenylpyrazol-3-yl)propan-1-imine has a molecular weight of 149.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylpyrazol-3-yl)propan-1-imine is sourced from PubChem (CID 123421640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).