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

C10H17F2N3O — CID 103148918

IUPAC3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine
SMILESCCn1nccc1C(N)CCOCC(F)F
InChIInChI=1S/C10H17F2N3O/c1-2-15-9(3-5-14-15)8(13)4-6-16-7-10(11)12/h3,5,8,10H,2,4,6-7,13H2,1H3
InChIKeyKGLWLTJSZHAOSV-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.57
Rot. Bonds7

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

3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine (PubChem CID 103148918) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine
PubChem CID103148918
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine
SMILESCCn1nccc1C(N)CCOCC(F)F
InChIInChI=1S/C10H17F2N3O/c1-2-15-9(3-5-14-15)8(13)4-6-16-7-10(11)12/h3,5,8,10H,2,4,6-7,13H2,1H3
InChIKeyKGLWLTJSZHAOSV-UHFFFAOYSA-N
XLogP1.57
TPSA53.07 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 ≤ 51.57
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 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine (CID 103148918) is 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine is CCn1nccc1C(N)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine?
The InChIKey is KGLWLTJSZHAOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-2-15-9(3-5-14-15)8(13)4-6-16-7-10(11)12/h3,5,8,10H,2,4,6-7,13H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(2-ethylpyrazol-3-yl)propan-1-amine has a molecular weight of 233.26 g/mol, XLogP of 1.57, 7 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-(2-ethylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103148918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).