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

C13H15F2N3O2 — CID 63048664

IUPAC5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2cccc(OC(F)F)c2)[nH]n1
InChIInChI=1S/C13H15F2N3O2/c1-19-6-5-16-12-8-11(17-18-12)9-3-2-4-10(7-9)20-13(14)15/h2-4,7-8,13H,5-6H2,1H3,(H2,16,17,18)
InChIKeyMFPZMAWJLNPNNC-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.74
Rot. Bonds7

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

5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine (PubChem CID 63048664) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine
PubChem CID63048664
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2cccc(OC(F)F)c2)[nH]n1
InChIInChI=1S/C13H15F2N3O2/c1-19-6-5-16-12-8-11(17-18-12)9-3-2-4-10(7-9)20-13(14)15/h2-4,7-8,13H,5-6H2,1H3,(H2,16,17,18)
InChIKeyMFPZMAWJLNPNNC-UHFFFAOYSA-N
XLogP2.74
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
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 5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine (CID 63048664) is 5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine is COCCNc1cc(-c2cccc(OC(F)F)c2)[nH]n1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The InChIKey is MFPZMAWJLNPNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-19-6-5-16-12-8-11(17-18-12)9-3-2-4-10(7-9)20-13(14)15/h2-4,7-8,13H,5-6H2,1H3,(H2,16,17,18).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine has a molecular weight of 283.28 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63048664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).