N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine

C14H16F3N3O — CID 66440265

IUPACN-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(-c2ccccc2F)c1C(F)F
InChIInChI=1S/C14H16F3N3O/c1-21-7-6-18-8-10-9-19-20(13(10)14(16)17)12-5-3-2-4-11(12)15/h2-5,9,14,18H,6-8H2,1H3
InChIKeySXKWBTNMJFVRHU-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.68
Rot. Bonds7

About N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 66440265) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID66440265
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(-c2ccccc2F)c1C(F)F
InChIInChI=1S/C14H16F3N3O/c1-21-7-6-18-8-10-9-19-20(13(10)14(16)17)12-5-3-2-4-11(12)15/h2-5,9,14,18H,6-8H2,1H3
InChIKeySXKWBTNMJFVRHU-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(difluoromethyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440673
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441882
N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 103294536
2-methoxy-N-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440069
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441880
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441076
N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442122
N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66439707
N-[[1-(4-chloro-3-fluorophenyl)-5-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79132895
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66442277

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine (CID 66440265) is N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cnn(-c2ccccc2F)c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is SXKWBTNMJFVRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-21-7-6-18-8-10-9-19-20(13(10)14(16)17)12-5-3-2-4-11(12)15/h2-5,9,14,18H,6-8H2,1H3.
What are the key properties of N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 299.30 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66440265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).