N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine

C22H24ClN5 — CID 2322272

IUPACN-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine
SMILESCc1nn(-c2ccccc2)c(Cl)c1C=NN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24ClN5/c1-18-21(22(23)28(25-18)20-10-6-3-7-11-20)16-24-27-14-12-26(13-15-27)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3
InChIKeyODOOYRXEBHUWCY-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.99
Rot. Bonds5

About N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine

N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine (PubChem CID 2322272) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine.

Molecular Properties

Compound NameN-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine
PubChem CID2322272
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC NameN-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine
SMILESCc1nn(-c2ccccc2)c(Cl)c1C=NN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24ClN5/c1-18-21(22(23)28(25-18)20-10-6-3-7-11-20)16-24-27-14-12-26(13-15-27)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3
InChIKeyODOOYRXEBHUWCY-UHFFFAOYSA-N
XLogP3.99
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
CID 699347
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine
CID 46567036
(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
CID 6483733
1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 4854836
1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 3319538
(Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
CID 9058597
(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 6597521
N-(4-benzylpiperazin-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine
CID 869953
1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
CID 23737698
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine;hydrochloride
CID 45046994

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine?
The IUPAC name of N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine (CID 2322272) is N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine.
What is the SMILES notation for N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine?
The canonical SMILES for N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine is Cc1nn(-c2ccccc2)c(Cl)c1C=NN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine?
The InChIKey is ODOOYRXEBHUWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5/c1-18-21(22(23)28(25-18)20-10-6-3-7-11-20)16-24-27-14-12-26(13-15-27)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3.
What are the key properties of N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine?
N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine has a molecular weight of 393.92 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine is sourced from PubChem (CID 2322272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).