N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine

C13H20F3N3O — CID 66440552

IUPACN-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(C(C)C2CC2)c1C(F)(F)F
InChIInChI=1S/C13H20F3N3O/c1-9(10-3-4-10)19-12(13(14,15)16)11(8-18-19)7-17-5-6-20-2/h8-10,17H,3-7H2,1-2H3
InChIKeyOJGQHIONPWULDF-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.61
Rot. Bonds7

About N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 66440552) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID66440552
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(C(C)C2CC2)c1C(F)(F)F
InChIInChI=1S/C13H20F3N3O/c1-9(10-3-4-10)19-12(13(14,15)16)11(8-18-19)7-17-5-6-20-2/h8-10,17H,3-7H2,1-2H3
InChIKeyOJGQHIONPWULDF-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.61
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-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441961
N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66442564
N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442755
2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 66442658
3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 122166110
N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442547
1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440958
2-methoxy-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]ethanamine
CID 83169846
N-[[1-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440486
N-[[1-(1,1-dioxothiolan-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441292
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 19535137
N-[[5-cyclopropyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441422

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine (CID 66440552) is N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cnn(C(C)C2CC2)c1C(F)(F)F.
What is the InChIKey of N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is OJGQHIONPWULDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-9(10-3-4-10)19-12(13(14,15)16)11(8-18-19)7-17-5-6-20-2/h8-10,17H,3-7H2,1-2H3.
What are the key properties of N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 291.32 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66440552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).