N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C15H19F3N4O — CID 86305115

IUPACN,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H19F3N4O/c1-19-7-8-22(2)10-11-9-20-21-14(11)12-5-3-4-6-13(12)23-15(16,17)18/h3-6,9,19H,7-8,10H2,1-2H3,(H,20,21)
InChIKeyJWXWLVADKULOID-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.63
Rot. Bonds7

About N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 86305115) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID86305115
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC NameN,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H19F3N4O/c1-19-7-8-22(2)10-11-9-20-21-14(11)12-5-3-4-6-13(12)23-15(16,17)18/h3-6,9,19H,7-8,10H2,1-2H3,(H,20,21)
InChIKeyJWXWLVADKULOID-UHFFFAOYSA-N
XLogP2.63
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
(2-Aminoethyl)(methyl) ({3-[4-(propan-2-yloxy)phenyl]-1h-pyrazol-4-yl}methyl)amine
CID 86303066
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209864
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
N,N'-dimethyl-N'-[[5-[3-(2-phenylethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117615952
N'-[[5-[3-(2-cyclohexylethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117615953
N,N'-dimethyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117666015
N'-methyl-N'-[[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671035
N'-methyl-N'-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671045
N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 121342334
2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenoxy]butan-1-ol
CID 121342364

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 86305115) is N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1-c1ccccc1OC(F)(F)F.
What is the InChIKey of N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is JWXWLVADKULOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-19-7-8-22(2)10-11-9-20-21-14(11)12-5-3-4-6-13(12)23-15(16,17)18/h3-6,9,19H,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 328.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 86305115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).