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

C18H16F4N4 — CID 59888700

IUPACN'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H16F4N4/c19-14-3-1-11(2-4-14)17-16(10-25-26-17)12-7-13(18(20,21)22)9-15(8-12)24-6-5-23/h1-4,7-10,24H,5-6,23H2,(H,25,26)
InChIKeyLHCCGOBLEMYCLC-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.27
Rot. Bonds5

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

N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 59888700) has the molecular formula C18H16F4N4 and a molecular weight of 364.35 g/mol. Its IUPAC name is N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID59888700
Molecular FormulaC18H16F4N4
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC NameN'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H16F4N4/c19-14-3-1-11(2-4-14)17-16(10-25-26-17)12-7-13(18(20,21)22)9-15(8-12)24-6-5-23/h1-4,7-10,24H,5-6,23H2,(H,25,26)
InChIKeyLHCCGOBLEMYCLC-UHFFFAOYSA-N
XLogP4.27
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-trifluoro-phenyl)-urea
CID 9954688
N-(1-(3,4-difluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9967878
1-cycloheptyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trifluorophenyl)urea
CID 11797457
(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542629
1-(3-phenyl-1H-pyrazol-4-yl)piperazine
CID 59511191
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209857
1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209911
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209964
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601333
1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601335

Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 59888700) is N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine is NCCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is LHCCGOBLEMYCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4/c19-14-3-1-11(2-4-14)17-16(10-25-26-17)12-7-13(18(20,21)22)9-15(8-12)24-6-5-23/h1-4,7-10,24H,5-6,23H2,(H,25,26).
What are the key properties of N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 364.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 59888700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).