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

C19H20N6S — CID 24954962

IUPACN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine
SMILESCc1ccc(-c2cc(NCCNc3cc(-c4cccs4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C19H20N6S/c1-13-4-6-14(7-5-13)15-11-18(24-22-15)20-8-9-21-19-12-16(23-25-19)17-3-2-10-26-17/h2-7,10-12H,8-9H2,1H3,(H2,20,22,24)(H2,21,23,25)
InChIKeyROLBHBBISCCQJE-UHFFFAOYSA-N
MW364.48 g/mol
LogP4.36
Rot. Bonds7

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

N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine (PubChem CID 24954962) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine
PubChem CID24954962
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC NameN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine
SMILESCc1ccc(-c2cc(NCCNc3cc(-c4cccs4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C19H20N6S/c1-13-4-6-14(7-5-13)15-11-18(24-22-15)20-8-9-21-19-12-16(23-25-19)17-3-2-10-26-17/h2-7,10-12H,8-9H2,1H3,(H2,20,22,24)(H2,21,23,25)
InChIKeyROLBHBBISCCQJE-UHFFFAOYSA-N
XLogP4.36
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine?
The IUPAC name of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine (CID 24954962) is N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine is Cc1ccc(-c2cc(NCCNc3cc(-c4cccs4)[nH]n3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine?
The InChIKey is ROLBHBBISCCQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S/c1-13-4-6-14(7-5-13)15-11-18(24-22-15)20-8-9-21-19-12-16(23-25-19)17-3-2-10-26-17/h2-7,10-12H,8-9H2,1H3,(H2,20,22,24)(H2,21,23,25).
What are the key properties of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine?
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine has a molecular weight of 364.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-N'-(5-thiophen-2-yl-1H-pyrazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 24954962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).