1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine

C9H13F2N3O — CID 135374470

IUPAC1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine
SMILESCc1nn(C2CC(OC(F)F)C2)cc1N
InChIInChI=1S/C9H13F2N3O/c1-5-8(12)4-14(13-5)6-2-7(3-6)15-9(10)11/h4,6-7,9H,2-3,12H2,1H3
InChIKeySTDDQGLOKWWQJU-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.72
Rot. Bonds3

About 1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine

1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine (PubChem CID 135374470) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine
PubChem CID135374470
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine
SMILESCc1nn(C2CC(OC(F)F)C2)cc1N
InChIInChI=1S/C9H13F2N3O/c1-5-8(12)4-14(13-5)6-2-7(3-6)15-9(10)11/h4,6-7,9H,2-3,12H2,1H3
InChIKeySTDDQGLOKWWQJU-UHFFFAOYSA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine?
The IUPAC name of 1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine (CID 135374470) is 1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine is Cc1nn(C2CC(OC(F)F)C2)cc1N.
What is the InChIKey of 1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine?
The InChIKey is STDDQGLOKWWQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-5-8(12)4-14(13-5)6-2-7(3-6)15-9(10)11/h4,6-7,9H,2-3,12H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine?
1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine has a molecular weight of 217.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine is sourced from PubChem (CID 135374470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).