N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C23H39F3N4O2 — CID 139456648

IUPACN'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCOCC1(CCC(F)(F)F)CCC(c2c(CN(C)CCNC)nn3c2COCC3)CC1
InChIInChI=1S/C23H39F3N4O2/c1-4-31-17-22(9-10-23(24,25)26)7-5-18(6-8-22)21-19(15-29(3)12-11-27-2)28-30-13-14-32-16-20(21)30/h18,27H,4-17H2,1-3H3
InChIKeyZYEQZGTTZRGRSV-UHFFFAOYSA-N
MW460.59 g/mol
LogP4.09
Rot. Bonds11

About N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139456648) has the molecular formula C23H39F3N4O2 and a molecular weight of 460.59 g/mol. Its IUPAC name is N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139456648
Molecular FormulaC23H39F3N4O2
Molecular Weight460.59 g/mol
Exact Mass460.30
IUPAC NameN'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCOCC1(CCC(F)(F)F)CCC(c2c(CN(C)CCNC)nn3c2COCC3)CC1
InChIInChI=1S/C23H39F3N4O2/c1-4-31-17-22(9-10-23(24,25)26)7-5-18(6-8-22)21-19(15-29(3)12-11-27-2)28-30-13-14-32-16-20(21)30/h18,27H,4-17H2,1-3H3
InChIKeyZYEQZGTTZRGRSV-UHFFFAOYSA-N
XLogP4.09
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-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'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 139456648) is N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CCOCC1(CCC(F)(F)F)CCC(c2c(CN(C)CCNC)nn3c2COCC3)CC1.
What is the InChIKey of N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is ZYEQZGTTZRGRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39F3N4O2/c1-4-31-17-22(9-10-23(24,25)26)7-5-18(6-8-22)21-19(15-29(3)12-11-27-2)28-30-13-14-32-16-20(21)30/h18,27H,4-17H2,1-3H3.
What are the key properties of N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 460.59 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[4-(ethoxymethyl)-4-(3,3,3-trifluoropropyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 139456648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).