3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine

C9H15F2N3O — CID 103148829

IUPAC3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCn1ccc(C(N)CCOCC(F)F)n1
InChIInChI=1S/C9H15F2N3O/c1-14-4-2-8(13-14)7(12)3-5-15-6-9(10)11/h2,4,7,9H,3,5-6,12H2,1H3
InChIKeyAVFOQOVPFUFWIY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.09
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103148829) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID103148829
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCn1ccc(C(N)CCOCC(F)F)n1
InChIInChI=1S/C9H15F2N3O/c1-14-4-2-8(13-14)7(12)3-5-15-6-9(10)11/h2,4,7,9H,3,5-6,12H2,1H3
InChIKeyAVFOQOVPFUFWIY-UHFFFAOYSA-N
XLogP1.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.09
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

alpha,1-Dimethyl-1H-pyrazole-3-methanamine
CID 19616543
1-(1-methyl-1H-pyrazol-3-yl)propan-1-amine
CID 65200402
1-(1-isopropyl-1H-pyrazol-3-yl)-ethylamine
CID 102550785
2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine dihydrochloride
CID 146154019
2-Amino-2-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 82418079
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 115858407
3-(1,1-Difluoro-2-methoxyethyl)-1-methylpyrazole
CID 123366235
1-(2,2-Difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine
CID 146569727
1-(2,2-Difluoroethyl)-5-(2-methoxyethyl)pyrazol-4-amine
CID 146569730
(2S,4R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)-4-(trifluoromethoxy)piperidine
CID 155148242
1-[1-(2,2-Difluoropropyl)pyrazol-3-yl]ethanamine
CID 156717453
Methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate
CID 162758075

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine (CID 103148829) is 3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine is Cn1ccc(C(N)CCOCC(F)F)n1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is AVFOQOVPFUFWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-14-4-2-8(13-14)7(12)3-5-15-6-9(10)11/h2,4,7,9H,3,5-6,12H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 219.24 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103148829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).