3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine

C16H18F2N6O — CID 163301449

IUPAC3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2nc(-c3cnn(C)c3)cn3ncc(C(F)F)c23)C1
InChIInChI=1S/C16H18F2N6O/c1-19-10-3-11(4-10)25-16-14-12(15(17)18)6-21-24(14)8-13(22-16)9-5-20-23(2)7-9/h5-8,10-11,15,19H,3-4H2,1-2H3
InChIKeyNTLWWHOYGOOVBK-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.20
Rot. Bonds5

About 3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine

3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine (PubChem CID 163301449) has the molecular formula C16H18F2N6O and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine
PubChem CID163301449
Molecular FormulaC16H18F2N6O
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2nc(-c3cnn(C)c3)cn3ncc(C(F)F)c23)C1
InChIInChI=1S/C16H18F2N6O/c1-19-10-3-11(4-10)25-16-14-12(15(17)18)6-21-24(14)8-13(22-16)9-5-20-23(2)7-9/h5-8,10-11,15,19H,3-4H2,1-2H3
InChIKeyNTLWWHOYGOOVBK-UHFFFAOYSA-N
XLogP2.20
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine (CID 163301449) is 3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine is CNC1CC(Oc2nc(-c3cnn(C)c3)cn3ncc(C(F)F)c23)C1.
What is the InChIKey of 3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine?
The InChIKey is NTLWWHOYGOOVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O/c1-19-10-3-11(4-10)25-16-14-12(15(17)18)6-21-24(14)8-13(22-16)9-5-20-23(2)7-9/h5-8,10-11,15,19H,3-4H2,1-2H3.
What are the key properties of 3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine?
3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine has a molecular weight of 348.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-N-methylcyclobutan-1-amine is sourced from PubChem (CID 163301449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).