5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine

C10H9F2N3O — CID 24707350

IUPAC5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccccc2OC(F)F)[nH]n1
InChIInChI=1S/C10H9F2N3O/c11-10(12)16-8-4-2-1-3-6(8)7-5-9(13)15-14-7/h1-5,10H,(H3,13,14,15)
InChIKeyRFLPQGHCBJYLBT-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.26
Rot. Bonds3

About 5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine

5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine (PubChem CID 24707350) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine
PubChem CID24707350
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccccc2OC(F)F)[nH]n1
InChIInChI=1S/C10H9F2N3O/c11-10(12)16-8-4-2-1-3-6(8)7-5-9(13)15-14-7/h1-5,10H,(H3,13,14,15)
InChIKeyRFLPQGHCBJYLBT-UHFFFAOYSA-N
XLogP2.26
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine (CID 24707350) is 5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2ccccc2OC(F)F)[nH]n1.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine?
The InChIKey is RFLPQGHCBJYLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-10(12)16-8-4-2-1-3-6(8)7-5-9(13)15-14-7/h1-5,10H,(H3,13,14,15).
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine?
5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine has a molecular weight of 225.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 24707350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).