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

C10H17F2N3O — CID 66439916

IUPACN-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCn1ncc(CNCCOC)c1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-3-15-9(10(11)12)8(7-14-15)6-13-4-5-16-2/h7,10,13H,3-6H2,1-2H3
InChIKeyUQDSGUQMSKFLLR-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.58
Rot. Bonds7

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

N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 66439916) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID66439916
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCn1ncc(CNCCOC)c1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-3-15-9(10(11)12)8(7-14-15)6-13-4-5-16-2/h7,10,13H,3-6H2,1-2H3
InChIKeyUQDSGUQMSKFLLR-UHFFFAOYSA-N
XLogP1.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine (CID 66439916) is N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine is CCn1ncc(CNCCOC)c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is UQDSGUQMSKFLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-3-15-9(10(11)12)8(7-14-15)6-13-4-5-16-2/h7,10,13H,3-6H2,1-2H3.
What are the key properties of N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 233.26 g/mol, XLogP of 1.58, 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-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66439916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).