2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide

C20H23N5OS — CID 156574643

IUPAC2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCN1CCN(c2ccccc2C(=O)NCc2cc(-c3cccs3)n[nH]2)CC1
InChIInChI=1S/C20H23N5OS/c1-24-8-10-25(11-9-24)18-6-3-2-5-16(18)20(26)21-14-15-13-17(23-22-15)19-7-4-12-27-19/h2-7,12-13H,8-11,14H2,1H3,(H,21,26)(H,22,23)
InChIKeyCIDWEKPKVVOGEO-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.82
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide

2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide (PubChem CID 156574643) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
PubChem CID156574643
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCN1CCN(c2ccccc2C(=O)NCc2cc(-c3cccs3)n[nH]2)CC1
InChIInChI=1S/C20H23N5OS/c1-24-8-10-25(11-9-24)18-6-3-2-5-16(18)20(26)21-14-15-13-17(23-22-15)19-7-4-12-27-19/h2-7,12-13H,8-11,14H2,1H3,(H,21,26)(H,22,23)
InChIKeyCIDWEKPKVVOGEO-UHFFFAOYSA-N
XLogP2.82
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide (CID 156574643) is 2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide is CN1CCN(c2ccccc2C(=O)NCc2cc(-c3cccs3)n[nH]2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The InChIKey is CIDWEKPKVVOGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-24-8-10-25(11-9-24)18-6-3-2-5-16(18)20(26)21-14-15-13-17(23-22-15)19-7-4-12-27-19/h2-7,12-13H,8-11,14H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide has a molecular weight of 381.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 156574643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).