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

C21H24N6O — CID 56663280

IUPACN-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(N)c4)[nH]n3)cc2)CC1
InChIInChI=1S/C21H24N6O/c1-26-9-11-27(12-10-26)18-7-5-15(6-8-18)21(28)23-20-14-19(24-25-20)16-3-2-4-17(22)13-16/h2-8,13-14H,9-12,22H2,1H3,(H2,23,24,25,28)
InChIKeyFGVKFVXORZWYDJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.66
Rot. Bonds4

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

N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 56663280) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID56663280
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(N)c4)[nH]n3)cc2)CC1
InChIInChI=1S/C21H24N6O/c1-26-9-11-27(12-10-26)18-7-5-15(6-8-18)21(28)23-20-14-19(24-25-20)16-3-2-4-17(22)13-16/h2-8,13-14H,9-12,22H2,1H3,(H2,23,24,25,28)
InChIKeyFGVKFVXORZWYDJ-UHFFFAOYSA-N
XLogP2.66
TPSA90.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 56663280) is N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(N)c4)[nH]n3)cc2)CC1.
What is the InChIKey of N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is FGVKFVXORZWYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26-9-11-27(12-10-26)18-7-5-15(6-8-18)21(28)23-20-14-19(24-25-20)16-3-2-4-17(22)13-16/h2-8,13-14H,9-12,22H2,1H3,(H2,23,24,25,28).
What are the key properties of N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 56663280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).