N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine

C22H24N6 — CID 59363907

IUPACN,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2cc(NCCNc3cc(-c4ccc(C)cc4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C22H24N6/c1-15-3-7-17(8-4-15)19-13-21(27-25-19)23-11-12-24-22-14-20(26-28-22)18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChIKeyNMUMMVFVBGAJIC-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.61
Rot. Bonds7

About N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine

N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine (PubChem CID 59363907) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
PubChem CID59363907
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC NameN,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2cc(NCCNc3cc(-c4ccc(C)cc4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C22H24N6/c1-15-3-7-17(8-4-15)19-13-21(27-25-19)23-11-12-24-22-14-20(26-28-22)18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChIKeyNMUMMVFVBGAJIC-UHFFFAOYSA-N
XLogP4.61
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine (CID 59363907) is N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine is Cc1ccc(-c2cc(NCCNc3cc(-c4ccc(C)cc4)[nH]n3)n[nH]2)cc1.
What is the InChIKey of N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
The InChIKey is NMUMMVFVBGAJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-15-3-7-17(8-4-15)19-13-21(27-25-19)23-11-12-24-22-14-20(26-28-22)18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3,(H2,23,25,27)(H2,24,26,28).
What are the key properties of N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine has a molecular weight of 372.48 g/mol, XLogP of 4.61, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 59363907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).