N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine

C23H33F3N4O3 — CID 85473018

IUPACN,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OCC(C)C)cc1OC1CCOC1
InChIInChI=1S/C23H33F3N4O3/c1-15(2)13-32-22-10-21(33-16-5-8-31-14-16)17(9-19(22)23(24,25)26)18-11-28-29-20(18)12-30(4)7-6-27-3/h9-11,15-16,27H,5-8,12-14H2,1-4H3,(H,28,29)
InChIKeyDALVEUAKIHJYKS-UHFFFAOYSA-N
MW470.54 g/mol
LogP3.95
Rot. Bonds11

About N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine (PubChem CID 85473018) has the molecular formula C23H33F3N4O3 and a molecular weight of 470.54 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
PubChem CID85473018
Molecular FormulaC23H33F3N4O3
Molecular Weight470.54 g/mol
Exact Mass470.25
IUPAC NameN,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OCC(C)C)cc1OC1CCOC1
InChIInChI=1S/C23H33F3N4O3/c1-15(2)13-32-22-10-21(33-16-5-8-31-14-16)17(9-19(22)23(24,25)26)18-11-28-29-20(18)12-30(4)7-6-27-3/h9-11,15-16,27H,5-8,12-14H2,1-4H3,(H,28,29)
InChIKeyDALVEUAKIHJYKS-UHFFFAOYSA-N
XLogP3.95
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-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,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine (CID 85473018) is N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OCC(C)C)cc1OC1CCOC1.
What is the InChIKey of N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is DALVEUAKIHJYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N4O3/c1-15(2)13-32-22-10-21(33-16-5-8-31-14-16)17(9-19(22)23(24,25)26)18-11-28-29-20(18)12-30(4)7-6-27-3/h9-11,15-16,27H,5-8,12-14H2,1-4H3,(H,28,29).
What are the key properties of N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine has a molecular weight of 470.54 g/mol, XLogP of 3.95, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[4-[4-(2-methylpropoxy)-2-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 85473018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).