N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C23H36N4O4 — CID 131982896

IUPACN'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccc(OCCCOC)c(OC2CCOCC2)c1
InChIInChI=1S/C23H36N4O4/c1-24-9-10-27(2)17-19-16-25-26-23(19)18-5-6-21(30-12-4-11-28-3)22(15-18)31-20-7-13-29-14-8-20/h5-6,15-16,20,24H,4,7-14,17H2,1-3H3,(H,25,26)
InChIKeyTYZIKPVAQDFJLZ-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.70
Rot. Bonds13

About N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 131982896) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID131982896
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC NameN'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccc(OCCCOC)c(OC2CCOCC2)c1
InChIInChI=1S/C23H36N4O4/c1-24-9-10-27(2)17-19-16-25-26-23(19)18-5-6-21(30-12-4-11-28-3)22(15-18)31-20-7-13-29-14-8-20/h5-6,15-16,20,24H,4,7-14,17H2,1-3H3,(H,25,26)
InChIKeyTYZIKPVAQDFJLZ-UHFFFAOYSA-N
XLogP2.70
TPSA80.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-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'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 131982896) is N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1-c1ccc(OCCCOC)c(OC2CCOCC2)c1.
What is the InChIKey of N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is TYZIKPVAQDFJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-24-9-10-27(2)17-19-16-25-26-23(19)18-5-6-21(30-12-4-11-28-3)22(15-18)31-20-7-13-29-14-8-20/h5-6,15-16,20,24H,4,7-14,17H2,1-3H3,(H,25,26).
What are the key properties of N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 432.57 g/mol, XLogP of 2.70, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-[4-(3-methoxypropoxy)-3-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 131982896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).