N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine

C13H22F2N4O — CID 122166298

IUPACN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCc1c(CNCCN2CCOCC2)cnn1CC(F)F
InChIInChI=1S/C13H22F2N4O/c1-11-12(9-17-19(11)10-13(14)15)8-16-2-3-18-4-6-20-7-5-18/h9,13,16H,2-8,10H2,1H3
InChIKeyCAOIGSNCGLNYGB-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.88
Rot. Bonds7

About N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine

N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 122166298) has the molecular formula C13H22F2N4O and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID122166298
Molecular FormulaC13H22F2N4O
Molecular Weight288.34 g/mol
Exact Mass288.18
IUPAC NameN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCc1c(CNCCN2CCOCC2)cnn1CC(F)F
InChIInChI=1S/C13H22F2N4O/c1-11-12(9-17-19(11)10-13(14)15)8-16-2-3-18-4-6-20-7-5-18/h9,13,16H,2-8,10H2,1H3
InChIKeyCAOIGSNCGLNYGB-UHFFFAOYSA-N
XLogP0.88
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 46986896
2-{3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]-1H-pyrazol-1-yl}ethanol
CID 77091141
2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 86779485
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine
CID 119051602
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 138001505
2-ethyl-2-methyl-N-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}morpholine-4-carboxamide
CID 121523606
1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine
CID 82511702
1-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 82511703
1-(2-Methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole
CID 89969662
4-[[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
CID 90167966
1-[3,3-Difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288860
4-[[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
CID 118357775

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine (CID 122166298) is N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine is Cc1c(CNCCN2CCOCC2)cnn1CC(F)F.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is CAOIGSNCGLNYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O/c1-11-12(9-17-19(11)10-13(14)15)8-16-2-3-18-4-6-20-7-5-18/h9,13,16H,2-8,10H2,1H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 288.34 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 122166298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).