(Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine

C23H27N5O — CID 9142774

IUPAC(Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2/C=N\N2CCN(C)CC2)c1
InChIInChI=1S/C23H27N5O/c1-26-11-13-27(14-12-26)24-16-21-18-28(17-19-7-4-3-5-8-19)25-23(21)20-9-6-10-22(15-20)29-2/h3-10,15-16,18H,11-14,17H2,1-2H3/b24-16-
InChIKeyQNRGOCONMSUWRE-JLPGSUDCSA-N
MW389.50 g/mol
LogP3.19
Rot. Bonds6

About (Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine

(Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 9142774) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is (Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID9142774
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name(Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2/C=N\N2CCN(C)CC2)c1
InChIInChI=1S/C23H27N5O/c1-26-11-13-27(14-12-26)24-16-21-18-28(17-19-7-4-3-5-8-19)25-23(21)20-9-6-10-22(15-20)29-2/h3-10,15-16,18H,11-14,17H2,1-2H3/b24-16-
InChIKeyQNRGOCONMSUWRE-JLPGSUDCSA-N
XLogP3.19
TPSA45.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 9058693
(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine
CID 9216790
(E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate
CID 9340835
N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 9142622
1-benzyl-3-(3-methoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 112796000
(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine
CID 27718163
3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile
CID 74274578
(E)-N-(4-benzylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)methanimine
CID 6887175
N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine
CID 869954
(E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyanoprop-2-enamide
CID 9187736
(4-aminopiperidin-1-yl)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119374601
[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 39964473

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine (CID 9142774) is (Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine is COc1cccc(-c2nn(Cc3ccccc3)cc2/C=N\N2CCN(C)CC2)c1.
What is the InChIKey of (Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is QNRGOCONMSUWRE-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H27N5O/c1-26-11-13-27(14-12-26)24-16-21-18-28(17-19-7-4-3-5-8-19)25-23(21)20-9-6-10-22(15-20)29-2/h3-10,15-16,18H,11-14,17H2,1-2H3/b24-16-.
What are the key properties of (Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine?
(Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 389.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 9142774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).