(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine

C20H23N5S — CID 9058693

IUPAC(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(/N=C\c2cn(Cc3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C20H23N5S/c1-23-9-11-24(12-10-23)21-14-18-16-25(15-17-6-3-2-4-7-17)22-20(18)19-8-5-13-26-19/h2-8,13-14,16H,9-12,15H2,1H3/b21-14-
InChIKeyWQPZINDWKOWIOT-STZFKDTASA-N
MW365.51 g/mol
LogP3.24
Rot. Bonds5

About (Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine

(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 9058693) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is (Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID9058693
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(/N=C\c2cn(Cc3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C20H23N5S/c1-23-9-11-24(12-10-23)21-14-18-16-25(15-17-6-3-2-4-7-17)22-20(18)19-8-5-13-26-19/h2-8,13-14,16H,9-12,15H2,1H3/b21-14-
InChIKeyWQPZINDWKOWIOT-STZFKDTASA-N
XLogP3.24
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.24
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'}

Analyze (Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine with MolForge

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Related Compounds

2-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]isoindole-1,3-dione
CID 9072543
(Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
CID 9142774
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
CID 9074309
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 9211955
N'-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]oxamide
CID 9120952
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-4-methylbenzamide
CID 9175314
(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine
CID 9216790
1-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9176218
ethyl 4-[(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate
CID 46798575
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883635
(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 47006186
(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 55972978

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine (CID 9058693) is (Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine is CN1CCN(/N=C\c2cn(Cc3ccccc3)nc2-c2cccs2)CC1.
What is the InChIKey of (Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is WQPZINDWKOWIOT-STZFKDTASA-N. The full InChI is InChI=1S/C20H23N5S/c1-23-9-11-24(12-10-23)21-14-18-16-25(15-17-6-3-2-4-7-17)22-20(18)19-8-5-13-26-19/h2-8,13-14,16H,9-12,15H2,1H3/b21-14-.
What are the key properties of (Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine?
(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 365.51 g/mol, XLogP of 3.24, 5 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-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 9058693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).