5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine

C11H15F2N3O — CID 138059224

IUPAC5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine
SMILESCC1C(N)NNC1c1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2N3O/c1-6-9(15-16-10(6)14)7-3-2-4-8(5-7)17-11(12)13/h2-6,9-11,15-16H,14H2,1H3
InChIKeyNJYLSHLYBAIEIN-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.36
Rot. Bonds3

About 5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine

5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine (PubChem CID 138059224) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine
PubChem CID138059224
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine
SMILESCC1C(N)NNC1c1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2N3O/c1-6-9(15-16-10(6)14)7-3-2-4-8(5-7)17-11(12)13/h2-6,9-11,15-16H,14H2,1H3
InChIKeyNJYLSHLYBAIEIN-UHFFFAOYSA-N
XLogP1.36
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine (CID 138059224) is 5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine is CC1C(N)NNC1c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine?
The InChIKey is NJYLSHLYBAIEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-6-9(15-16-10(6)14)7-3-2-4-8(5-7)17-11(12)13/h2-6,9-11,15-16H,14H2,1H3.
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine?
5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine has a molecular weight of 243.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-4-methylpyrazolidin-3-amine is sourced from PubChem (CID 138059224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).