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

C11H19F2N3O — CID 103149019

IUPAC3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1C(N)CCOCC(F)F
InChIInChI=1S/C11H19F2N3O/c1-2-6-16-10(3-5-15-16)9(14)4-7-17-8-11(12)13/h3,5,9,11H,2,4,6-8,14H2,1H3
InChIKeyIFLMLYYFTWAVAI-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.96
Rot. Bonds8

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

3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine (PubChem CID 103149019) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine
PubChem CID103149019
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1C(N)CCOCC(F)F
InChIInChI=1S/C11H19F2N3O/c1-2-6-16-10(3-5-15-16)9(14)4-7-17-8-11(12)13/h3,5,9,11H,2,4,6-8,14H2,1H3
InChIKeyIFLMLYYFTWAVAI-UHFFFAOYSA-N
XLogP1.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine (CID 103149019) is 3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine is CCCn1nccc1C(N)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine?
The InChIKey is IFLMLYYFTWAVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c1-2-6-16-10(3-5-15-16)9(14)4-7-17-8-11(12)13/h3,5,9,11H,2,4,6-8,14H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(2-propylpyrazol-3-yl)propan-1-amine has a molecular weight of 247.29 g/mol, XLogP of 1.96, 8 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-propylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103149019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).