N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C18H24F4N4O — CID 85473272

IUPACN'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCCOc1cc(C(F)(F)F)cc(-c2cn[nH]c2CN(C)CCNC)c1F
InChIInChI=1S/C18H24F4N4O/c1-4-7-27-16-9-12(18(20,21)22)8-13(17(16)19)14-10-24-25-15(14)11-26(3)6-5-23-2/h8-10,23H,4-7,11H2,1-3H3,(H,24,25)
InChIKeyUQFXOXIGHONYTP-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.67
Rot. Bonds9

About N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 85473272) has the molecular formula C18H24F4N4O and a molecular weight of 388.41 g/mol. Its IUPAC name is N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID85473272
Molecular FormulaC18H24F4N4O
Molecular Weight388.41 g/mol
Exact Mass388.19
IUPAC NameN'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCCOc1cc(C(F)(F)F)cc(-c2cn[nH]c2CN(C)CCNC)c1F
InChIInChI=1S/C18H24F4N4O/c1-4-7-27-16-9-12(18(20,21)22)8-13(17(16)19)14-10-24-25-15(14)11-26(3)6-5-23-2/h8-10,23H,4-7,11H2,1-3H3,(H,24,25)
InChIKeyUQFXOXIGHONYTP-UHFFFAOYSA-N
XLogP3.67
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 85473272) is N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CCCOc1cc(C(F)(F)F)cc(-c2cn[nH]c2CN(C)CCNC)c1F.
What is the InChIKey of N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is UQFXOXIGHONYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4N4O/c1-4-7-27-16-9-12(18(20,21)22)8-13(17(16)19)14-10-24-25-15(14)11-26(3)6-5-23-2/h8-10,23H,4-7,11H2,1-3H3,(H,24,25).
What are the key properties of N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 388.41 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 85473272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).