N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine

C19H20N6 — CID 136836155

IUPACN-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine
SMILESC(=N/CCc1ccccn1)\c1cc(/C=N/CCc2ccccn2)[nH]n1
InChIInChI=1S/C19H20N6/c1-3-9-22-16(5-1)7-11-20-14-18-13-19(25-24-18)15-21-12-8-17-6-2-4-10-23-17/h1-6,9-10,13-15H,7-8,11-12H2,(H,24,25)/b20-14+,21-15+
InChIKeyFHIAUCWMOUCHEU-OZNQKUEASA-N
MW332.41 g/mol
LogP2.52
Rot. Bonds8

About N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine

N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine (PubChem CID 136836155) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine
PubChem CID136836155
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine
SMILESC(=N/CCc1ccccn1)\c1cc(/C=N/CCc2ccccn2)[nH]n1
InChIInChI=1S/C19H20N6/c1-3-9-22-16(5-1)7-11-20-14-18-13-19(25-24-18)15-21-12-8-17-6-2-4-10-23-17/h1-6,9-10,13-15H,7-8,11-12H2,(H,24,25)/b20-14+,21-15+
InChIKeyFHIAUCWMOUCHEU-OZNQKUEASA-N
XLogP2.52
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine
CID 132512945
2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol
CID 136738932
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
CID 139174160
N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
CID 102034985
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
1-(6-pyridin-2-yl-2-pyridinyl)-N-[2-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]ethyl]methanimine
CID 102521217
2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol
CID 136832873
1-N,2-N-bis(2-pyridin-2-ylethyl)cyclohexa-3,5-diene-1,2-diimine
CID 139182392
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
trizinc;bis(acetonitrile);tetrakis(2,4-dibromo-6-(2-pyridin-2-ylethyliminomethyl)phenolate);diperchlorate
CID 139088645
4-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 10398308

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine?
The IUPAC name of N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine (CID 136836155) is N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine is C(=N/CCc1ccccn1)\c1cc(/C=N/CCc2ccccn2)[nH]n1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine?
The InChIKey is FHIAUCWMOUCHEU-OZNQKUEASA-N. The full InChI is InChI=1S/C19H20N6/c1-3-9-22-16(5-1)7-11-20-14-18-13-19(25-24-18)15-21-12-8-17-6-2-4-10-23-17/h1-6,9-10,13-15H,7-8,11-12H2,(H,24,25)/b20-14+,21-15+.
What are the key properties of N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine?
N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine has a molecular weight of 332.41 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine is sourced from PubChem (CID 136836155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).