N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine

C11H18F2N4O — CID 122166075

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine
SMILESFC(F)n1nccc1CNCCN1CCOCC1
InChIInChI=1S/C11H18F2N4O/c12-11(13)17-10(1-2-15-17)9-14-3-4-16-5-7-18-8-6-16/h1-2,11,14H,3-9H2
InChIKeyGFKJIXRGDQWVCU-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.70
Rot. Bonds6

About N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 122166075) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID122166075
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine
SMILESFC(F)n1nccc1CNCCN1CCOCC1
InChIInChI=1S/C11H18F2N4O/c12-11(13)17-10(1-2-15-17)9-14-3-4-16-5-7-18-8-6-16/h1-2,11,14H,3-9H2
InChIKeyGFKJIXRGDQWVCU-UHFFFAOYSA-N
XLogP0.70
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-((1-Methyl-1H-pyrazol-3-yl)methyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 118742073
(2-methoxyethyl)[(1-methyl-1H-pyrazol-5-yl)methyl]amine
CID 43663120
4-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
CID 91843740
N-[2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838933
1-[(1-Methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;dihydrochloride
CID 118742072
2-Methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine
CID 122139898
N'-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]ethane-1,2-diamine
CID 14009877
N'-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]ethane-1,2-diamine
CID 70458140
1-[3,3-Difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288860
4-[2,2-Difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine;ethane
CID 144664961
4-[2,2-Difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine
CID 144664962
4-[2-Fluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine
CID 144666483

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine (CID 122166075) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine is FC(F)n1nccc1CNCCN1CCOCC1.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is GFKJIXRGDQWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c12-11(13)17-10(1-2-15-17)9-14-3-4-16-5-7-18-8-6-16/h1-2,11,14H,3-9H2.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 260.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 122166075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).