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

C32H28N6 — CID 68667460

IUPAC1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
SMILESNC(CNc1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C32H28N6/c33-28(31-19-29(35-37-31)26-15-11-24(12-16-26)22-7-3-1-4-8-22)21-34-32-20-30(36-38-32)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-20,28H,21,33H2,(H,35,37)(H2,34,36,38)
InChIKeyXSYZQPLROHQMTL-UHFFFAOYSA-N
MW496.62 g/mol
LogP6.91
Rot. Bonds8

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

1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine (PubChem CID 68667460) has the molecular formula C32H28N6 and a molecular weight of 496.62 g/mol. Its IUPAC name is 1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
PubChem CID68667460
Molecular FormulaC32H28N6
Molecular Weight496.62 g/mol
Exact Mass496.24
IUPAC Name1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
SMILESNC(CNc1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C32H28N6/c33-28(31-19-29(35-37-31)26-15-11-24(12-16-26)22-7-3-1-4-8-22)21-34-32-20-30(36-38-32)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-20,28H,21,33H2,(H,35,37)(H2,34,36,38)
InChIKeyXSYZQPLROHQMTL-UHFFFAOYSA-N
XLogP6.91
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 56.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride
CID 162315025
(5-phenyl-1H-pyrazol-3-yl)hydrazine
CID 13016518
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine
CID 71102325
2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986388
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid
CID 105469690
4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile
CID 63049531
2-N,6-N-bis(5-phenyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 139220875
(1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine
CID 51038074
2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987811
2,2-dimethyl-N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]propane-1,3-diamine
CID 24954229

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
The IUPAC name of 1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine (CID 68667460) is 1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for 1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine is NC(CNc1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1.
What is the InChIKey of 1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
The InChIKey is XSYZQPLROHQMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6/c33-28(31-19-29(35-37-31)26-15-11-24(12-16-26)22-7-3-1-4-8-22)21-34-32-20-30(36-38-32)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-20,28H,21,33H2,(H,35,37)(H2,34,36,38).
What are the key properties of 1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine has a molecular weight of 496.62 g/mol, XLogP of 6.91, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 68667460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).