1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine

C8H13F2N3O — CID 82005340

IUPAC1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine
SMILESNc1ccn(CCCOCC(F)F)n1
InChIInChI=1S/C8H13F2N3O/c9-7(10)6-14-5-1-3-13-4-2-8(11)12-13/h2,4,7H,1,3,5-6H2,(H2,11,12)
InChIKeyZZOQJTRMRJTEDQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.14
Rot. Bonds6

About 1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine

1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine (PubChem CID 82005340) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine
PubChem CID82005340
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine
SMILESNc1ccn(CCCOCC(F)F)n1
InChIInChI=1S/C8H13F2N3O/c9-7(10)6-14-5-1-3-13-4-2-8(11)12-13/h2,4,7H,1,3,5-6H2,(H2,11,12)
InChIKeyZZOQJTRMRJTEDQ-UHFFFAOYSA-N
XLogP1.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.14
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 1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine (CID 82005340) is 1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine is Nc1ccn(CCCOCC(F)F)n1.
What is the InChIKey of 1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine?
The InChIKey is ZZOQJTRMRJTEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c9-7(10)6-14-5-1-3-13-4-2-8(11)12-13/h2,4,7H,1,3,5-6H2,(H2,11,12).
What are the key properties of 1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine?
1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine has a molecular weight of 205.21 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethoxy)propyl]pyrazol-3-amine is sourced from PubChem (CID 82005340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).