N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine

C12H15F2N5O — CID 103294536

IUPACN-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(-c2cccnn2)c1C(F)F
InChIInChI=1S/C12H15F2N5O/c1-20-6-5-15-7-9-8-17-19(11(9)12(13)14)10-3-2-4-16-18-10/h2-4,8,12,15H,5-7H2,1H3
InChIKeySTTCIGPCSWHDJH-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.34
Rot. Bonds7

About N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 103294536) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID103294536
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC NameN-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(-c2cccnn2)c1C(F)F
InChIInChI=1S/C12H15F2N5O/c1-20-6-5-15-7-9-8-17-19(11(9)12(13)14)10-3-2-4-16-18-10/h2-4,8,12,15H,5-7H2,1H3
InChIKeySTTCIGPCSWHDJH-UHFFFAOYSA-N
XLogP1.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine 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

N-[[5-(difluoromethyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440673
N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440265
2-methyl-N-[(5-propan-2-yl-1-pyridazin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 103294541
N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66439707
2-methoxy-N-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440069
N-[(5-cyclopropyl-1-pyridazin-3-ylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 103294542
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441882
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66442415
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440964
N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440879
(5-ethyl-1-pyridazin-3-ylpyrazol-4-yl)methanamine
CID 103294537
2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66412424

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine (CID 103294536) is N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cnn(-c2cccnn2)c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is STTCIGPCSWHDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-20-6-5-15-7-9-8-17-19(11(9)12(13)14)10-3-2-4-16-18-10/h2-4,8,12,15H,5-7H2,1H3.
What are the key properties of N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 283.28 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 103294536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).