N-(2-prop-1-enylpyrazol-3-yl)methanimine

C7H9N3 — CID 123949727

IUPACN-(2-prop-1-enylpyrazol-3-yl)methanimine
SMILESC=Nc1ccnn1C=CC
InChIInChI=1S/C7H9N3/c1-3-6-10-7(8-2)4-5-9-10/h3-6H,2H2,1H3
InChIKeyQWLRFKVUZKILIY-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.71
Rot. Bonds2

About N-(2-prop-1-enylpyrazol-3-yl)methanimine

N-(2-prop-1-enylpyrazol-3-yl)methanimine (PubChem CID 123949727) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is N-(2-prop-1-enylpyrazol-3-yl)methanimine.

Molecular Properties

Compound NameN-(2-prop-1-enylpyrazol-3-yl)methanimine
PubChem CID123949727
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC NameN-(2-prop-1-enylpyrazol-3-yl)methanimine
SMILESC=Nc1ccnn1C=CC
InChIInChI=1S/C7H9N3/c1-3-6-10-7(8-2)4-5-9-10/h3-6H,2H2,1H3
InChIKeyQWLRFKVUZKILIY-UHFFFAOYSA-N
XLogP1.71
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.71
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
1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-(2-methylpropyl)-1H-pyrazol-5-amine
CID 4962021
1-ethenyl-1H-pyrazole
CID 6420997
1-Propyl-1H-pyrazole
CID 12711096
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-1-enylpyrazol-3-yl)methanimine?
The IUPAC name of N-(2-prop-1-enylpyrazol-3-yl)methanimine (CID 123949727) is N-(2-prop-1-enylpyrazol-3-yl)methanimine.
What is the SMILES notation for N-(2-prop-1-enylpyrazol-3-yl)methanimine?
The canonical SMILES for N-(2-prop-1-enylpyrazol-3-yl)methanimine is C=Nc1ccnn1C=CC.
What is the InChIKey of N-(2-prop-1-enylpyrazol-3-yl)methanimine?
The InChIKey is QWLRFKVUZKILIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-6-10-7(8-2)4-5-9-10/h3-6H,2H2,1H3.
What are the key properties of N-(2-prop-1-enylpyrazol-3-yl)methanimine?
N-(2-prop-1-enylpyrazol-3-yl)methanimine has a molecular weight of 135.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-1-enylpyrazol-3-yl)methanimine is sourced from PubChem (CID 123949727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).