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

C24H30N8 — CID 24954590

IUPACN,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine
SMILESCN(C)c1ccc(-c2cc(NCCNc3cc(-c4ccc(N(C)C)cc4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C24H30N8/c1-31(2)19-9-5-17(6-10-19)21-15-23(29-27-21)25-13-14-26-24-16-22(28-30-24)18-7-11-20(12-8-18)32(3)4/h5-12,15-16H,13-14H2,1-4H3,(H2,25,27,29)(H2,26,28,30)
InChIKeyVKXHTNNQVMZTTQ-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.12
Rot. Bonds9

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

N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine (PubChem CID 24954590) has the molecular formula C24H30N8 and a molecular weight of 430.56 g/mol. Its IUPAC name is N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine
PubChem CID24954590
Molecular FormulaC24H30N8
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC NameN,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine
SMILESCN(C)c1ccc(-c2cc(NCCNc3cc(-c4ccc(N(C)C)cc4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C24H30N8/c1-31(2)19-9-5-17(6-10-19)21-15-23(29-27-21)25-13-14-26-24-16-22(28-30-24)18-7-11-20(12-8-18)32(3)4/h5-12,15-16H,13-14H2,1-4H3,(H2,25,27,29)(H2,26,28,30)
InChIKeyVKXHTNNQVMZTTQ-UHFFFAOYSA-N
XLogP4.12
TPSA87.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine (CID 24954590) is N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine is CN(C)c1ccc(-c2cc(NCCNc3cc(-c4ccc(N(C)C)cc4)[nH]n3)n[nH]2)cc1.
What is the InChIKey of N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine?
The InChIKey is VKXHTNNQVMZTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8/c1-31(2)19-9-5-17(6-10-19)21-15-23(29-27-21)25-13-14-26-24-16-22(28-30-24)18-7-11-20(12-8-18)32(3)4/h5-12,15-16H,13-14H2,1-4H3,(H2,25,27,29)(H2,26,28,30).
What are the key properties of N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine?
N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine has a molecular weight of 430.56 g/mol, XLogP of 4.12, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 24954590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).