(Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine

C16H19Cl2N5 — CID 9058597

IUPAC(Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1C=NN1CCN(C)CC1
InChIInChI=1S/C16H19Cl2N5/c1-12-13(11-19-22-9-7-21(2)8-10-22)16(18)23(20-12)15-6-4-3-5-14(15)17/h3-6,11H,7-10H2,1-2H3
InChIKeyYWTJNYWPNVXHIT-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.07
Rot. Bonds3

About (Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine

(Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 9058597) has the molecular formula C16H19Cl2N5 and a molecular weight of 352.27 g/mol. Its IUPAC name is (Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID9058597
Molecular FormulaC16H19Cl2N5
Molecular Weight352.27 g/mol
Exact Mass351.10
IUPAC Name(Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1C=NN1CCN(C)CC1
InChIInChI=1S/C16H19Cl2N5/c1-12-13(11-19-22-9-7-21(2)8-10-22)16(18)23(20-12)15-6-4-3-5-14(15)17/h3-6,11H,7-10H2,1-2H3
InChIKeyYWTJNYWPNVXHIT-UHFFFAOYSA-N
XLogP3.07
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine (CID 9058597) is (Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine is Cc1nn(-c2ccccc2Cl)c(Cl)c1C=NN1CCN(C)CC1.
What is the InChIKey of (Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is YWTJNYWPNVXHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5/c1-12-13(11-19-22-9-7-21(2)8-10-22)16(18)23(20-12)15-6-4-3-5-14(15)17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine?
(Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 352.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 9058597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).