N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C28H28N6O2 — CID 56666718

IUPACN-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(NC(=O)c5ccccc5)c4)[nH]n3)cc2)CC1
InChIInChI=1S/C28H28N6O2/c1-33-14-16-34(17-15-33)24-12-10-21(11-13-24)28(36)30-26-19-25(31-32-26)22-8-5-9-23(18-22)29-27(35)20-6-3-2-4-7-20/h2-13,18-19H,14-17H2,1H3,(H,29,35)(H2,30,31,32,36)
InChIKeyJDFMMOBOMJLFPH-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.33
Rot. Bonds6

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

N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 56666718) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID56666718
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC NameN-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(NC(=O)c5ccccc5)c4)[nH]n3)cc2)CC1
InChIInChI=1S/C28H28N6O2/c1-33-14-16-34(17-15-33)24-12-10-21(11-13-24)28(36)30-26-19-25(31-32-26)22-8-5-9-23(18-22)29-27(35)20-6-3-2-4-7-20/h2-13,18-19H,14-17H2,1H3,(H,29,35)(H2,30,31,32,36)
InChIKeyJDFMMOBOMJLFPH-UHFFFAOYSA-N
XLogP4.33
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 56666718) is N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(NC(=O)c5ccccc5)c4)[nH]n3)cc2)CC1.
What is the InChIKey of N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is JDFMMOBOMJLFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-33-14-16-34(17-15-33)24-12-10-21(11-13-24)28(36)30-26-19-25(31-32-26)22-8-5-9-23(18-22)29-27(35)20-6-3-2-4-7-20/h2-13,18-19H,14-17H2,1H3,(H,29,35)(H2,30,31,32,36).
What are the key properties of N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 480.57 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-benzamidophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 56666718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).