N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride

C16H18Cl2N6S2 — CID 140551986

IUPACN,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.c1csc(-c2cn[nH]c2NCCNc2[nH]ncc2-c2cccs2)c1
InChIInChI=1S/C16H16N6S2.2ClH/c1-3-13(23-7-1)11-9-19-21-15(11)17-5-6-18-16-12(10-20-22-16)14-4-2-8-24-14;;/h1-4,7-10H,5-6H2,(H2,17,19,21)(H2,18,20,22);2*1H
InChIKeyCPRWPIIHPQNZNX-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.96
Rot. Bonds7

About N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride

N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 140551986) has the molecular formula C16H18Cl2N6S2 and a molecular weight of 429.40 g/mol. Its IUPAC name is N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID140551986
Molecular FormulaC16H18Cl2N6S2
Molecular Weight429.40 g/mol
Exact Mass428.04
IUPAC NameN,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.c1csc(-c2cn[nH]c2NCCNc2[nH]ncc2-c2cccs2)c1
InChIInChI=1S/C16H16N6S2.2ClH/c1-3-13(23-7-1)11-9-19-21-15(11)17-5-6-18-16-12(10-20-22-16)14-4-2-8-24-14;;/h1-4,7-10H,5-6H2,(H2,17,19,21)(H2,18,20,22);2*1H
InChIKeyCPRWPIIHPQNZNX-UHFFFAOYSA-N
XLogP4.96
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.96
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(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride (CID 140551986) is N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.c1csc(-c2cn[nH]c2NCCNc2[nH]ncc2-c2cccs2)c1.
What is the InChIKey of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is CPRWPIIHPQNZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S2.2ClH/c1-3-13(23-7-1)11-9-19-21-15(11)17-5-6-18-16-12(10-20-22-16)14-4-2-8-24-14;;/h1-4,7-10H,5-6H2,(H2,17,19,21)(H2,18,20,22);2*1H.
What are the key properties of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride?
N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 429.40 g/mol, XLogP of 4.96, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 140551986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).