5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine

C12H13F2N3O — CID 63047603

IUPAC5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine
SMILESCCNc1cc(-c2ccc(OC(F)F)cc2)[nH]n1
InChIInChI=1S/C12H13F2N3O/c1-2-15-11-7-10(16-17-11)8-3-5-9(6-4-8)18-12(13)14/h3-7,12H,2H2,1H3,(H2,15,16,17)
InChIKeyYHJJIRYSTNJINB-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.11
Rot. Bonds5

About 5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine

5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine (PubChem CID 63047603) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine
PubChem CID63047603
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine
SMILESCCNc1cc(-c2ccc(OC(F)F)cc2)[nH]n1
InChIInChI=1S/C12H13F2N3O/c1-2-15-11-7-10(16-17-11)8-3-5-9(6-4-8)18-12(13)14/h3-7,12H,2H2,1H3,(H2,15,16,17)
InChIKeyYHJJIRYSTNJINB-UHFFFAOYSA-N
XLogP3.11
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine (CID 63047603) is 5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine is CCNc1cc(-c2ccc(OC(F)F)cc2)[nH]n1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine?
The InChIKey is YHJJIRYSTNJINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-2-15-11-7-10(16-17-11)8-3-5-9(6-4-8)18-12(13)14/h3-7,12H,2H2,1H3,(H2,15,16,17).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine?
5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine has a molecular weight of 253.25 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-N-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63047603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).