5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine

C6H9F2N3O — CID 122171337

IUPAC5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1COC(F)F
InChIInChI=1S/C6H9F2N3O/c1-11-4(2-5(9)10-11)3-12-6(7)8/h2,6H,3H2,1H3,(H2,9,10)
InChIKeyMTTJPGWARFUNIO-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.74
Rot. Bonds3

About 5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine

5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine (PubChem CID 122171337) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine
PubChem CID122171337
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1COC(F)F
InChIInChI=1S/C6H9F2N3O/c1-11-4(2-5(9)10-11)3-12-6(7)8/h2,6H,3H2,1H3,(H2,9,10)
InChIKeyMTTJPGWARFUNIO-UHFFFAOYSA-N
XLogP0.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine?
The IUPAC name of 5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine (CID 122171337) is 5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine is Cn1nc(N)cc1COC(F)F.
What is the InChIKey of 5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine?
The InChIKey is MTTJPGWARFUNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c1-11-4(2-5(9)10-11)3-12-6(7)8/h2,6H,3H2,1H3,(H2,9,10).
What are the key properties of 5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine?
5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine has a molecular weight of 177.15 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxymethyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 122171337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).