N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride

C20H22Cl2N6 — CID 162315025

IUPACN,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cc(NCCNc3cc(-c4ccccc4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C20H20N6.2ClH/c1-3-7-15(8-4-1)17-13-19(25-23-17)21-11-12-22-20-14-18(24-26-20)16-9-5-2-6-10-16;;/h1-10,13-14H,11-12H2,(H2,21,23,25)(H2,22,24,26);2*1H
InChIKeyDKRUTIUVEUBPFR-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.83
Rot. Bonds7

About N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride

N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 162315025) has the molecular formula C20H22Cl2N6 and a molecular weight of 417.34 g/mol. Its IUPAC name is N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID162315025
Molecular FormulaC20H22Cl2N6
Molecular Weight417.34 g/mol
Exact Mass416.13
IUPAC NameN,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cc(NCCNc3cc(-c4ccccc4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C20H20N6.2ClH/c1-3-7-15(8-4-1)17-13-19(25-23-17)21-11-12-22-20-14-18(24-26-20)16-9-5-2-6-10-16;;/h1-10,13-14H,11-12H2,(H2,21,23,25)(H2,22,24,26);2*1H
InChIKeyDKRUTIUVEUBPFR-UHFFFAOYSA-N
XLogP4.83
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.83
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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Related Compounds

N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
(5-phenyl-1H-pyrazol-3-yl)hydrazine
CID 13016518
2-N,6-N-bis(5-phenyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 139220875
5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63048476
N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine
CID 71102325
1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 68667460
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 10131417
5-phenyl-3-(propylamino)-1H-pyridazin-6-one
CID 71580091
N-(2-methoxyethyl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 63049884
5-(3-bromophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63047953
5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63529596

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride (CID 162315025) is N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.c1ccc(-c2cc(NCCNc3cc(-c4ccccc4)[nH]n3)n[nH]2)cc1.
What is the InChIKey of N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is DKRUTIUVEUBPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6.2ClH/c1-3-7-15(8-4-1)17-13-19(25-23-17)21-11-12-22-20-14-18(24-26-20)16-9-5-2-6-10-16;;/h1-10,13-14H,11-12H2,(H2,21,23,25)(H2,22,24,26);2*1H.
What are the key properties of N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride?
N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 417.34 g/mol, XLogP of 4.83, 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-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 162315025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).