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

C20H18F2N6 — CID 24954231

IUPACN,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
SMILESFc1ccc(-c2cc(NCCNc3cc(-c4ccc(F)cc4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C20H18F2N6/c21-15-5-1-13(2-6-15)17-11-19(27-25-17)23-9-10-24-20-12-18(26-28-20)14-3-7-16(22)8-4-14/h1-8,11-12H,9-10H2,(H2,23,25,27)(H2,24,26,28)
InChIKeyFZKYEXRLGOSPIV-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.27
Rot. Bonds7

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

N,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine (PubChem CID 24954231) has the molecular formula C20H18F2N6 and a molecular weight of 380.40 g/mol. Its IUPAC name is N,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
PubChem CID24954231
Molecular FormulaC20H18F2N6
Molecular Weight380.40 g/mol
Exact Mass380.16
IUPAC NameN,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
SMILESFc1ccc(-c2cc(NCCNc3cc(-c4ccc(F)cc4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C20H18F2N6/c21-15-5-1-13(2-6-15)17-11-19(27-25-17)23-9-10-24-20-12-18(26-28-20)14-3-7-16(22)8-4-14/h1-8,11-12H,9-10H2,(H2,23,25,27)(H2,24,26,28)
InChIKeyFZKYEXRLGOSPIV-UHFFFAOYSA-N
XLogP4.27
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.27
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

N2-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine
CID 2423957
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine
CID 164879199
N-methyl-5-phenyl-1H-pyrazol-3-amine
CID 12356179
1-Phenethyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperazine
CID 10735344
N-((1-benzylpiperidin-4-yl)methyl)-1H-indazol-3-amine
CID 46889747
7-Fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135484509
7-Fluoro-5-(2-fluorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002531
5-(2-Fluorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002667
N,N'-bis[5-[4-(dimethylamino)phenyl]-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 24954590
(3R)-3-[1,1-dioxo-5-(5-phenyl-1H-pyrazol-3-yl)-1,2,5-thiadiazolidin-2-yl]pyrrolidine-1-carbonitrile
CID 141522384
(3R)-3-[1,1-dioxo-6-(5-phenyl-1H-pyrazol-3-yl)-1,2,6-thiadiazinan-2-yl]pyrrolidine-1-carbonitrile
CID 141707663
1H-Indazol-3-amine, N-(3-(1-pyrrolidinyl)propyl)-
CID 3068041

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine (CID 24954231) is N,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine is Fc1ccc(-c2cc(NCCNc3cc(-c4ccc(F)cc4)[nH]n3)n[nH]2)cc1.
What is the InChIKey of N,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
The InChIKey is FZKYEXRLGOSPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6/c21-15-5-1-13(2-6-15)17-11-19(27-25-17)23-9-10-24-20-12-18(26-28-20)14-3-7-16(22)8-4-14/h1-8,11-12H,9-10H2,(H2,23,25,27)(H2,24,26,28).
What are the key properties of N,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine?
N,N'-bis[5-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine has a molecular weight of 380.40 g/mol, XLogP of 4.27, 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-(4-fluorophenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 24954231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).