N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine

C7H9N3 — CID 123664666

IUPACN-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine
SMILESC=Nc1[nH]ncc1C=CC
InChIInChI=1S/C7H9N3/c1-3-4-6-5-9-10-7(6)8-2/h3-5H,2H2,1H3,(H,9,10)
InChIKeyPTMPMRKVJFLLNY-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.77
Rot. Bonds2

About N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine

N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine (PubChem CID 123664666) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine.

Molecular Properties

Compound NameN-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine
PubChem CID123664666
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC NameN-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine
SMILESC=Nc1[nH]ncc1C=CC
InChIInChI=1S/C7H9N3/c1-3-4-6-5-9-10-7(6)8-2/h3-5H,2H2,1H3,(H,9,10)
InChIKeyPTMPMRKVJFLLNY-UHFFFAOYSA-N
XLogP1.77
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.77
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 N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine?
The IUPAC name of N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine (CID 123664666) is N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine.
What is the SMILES notation for N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine?
The canonical SMILES for N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine is C=Nc1[nH]ncc1C=CC.
What is the InChIKey of N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine?
The InChIKey is PTMPMRKVJFLLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-4-6-5-9-10-7(6)8-2/h3-5H,2H2,1H3,(H,9,10).
What are the key properties of N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine?
N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine has a molecular weight of 135.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine is sourced from PubChem (CID 123664666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).