3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine

C16H17F3N6O — CID 163301609

IUPAC3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
SMILESCc1cnn2cc(-c3cnn(C(F)(F)F)c3)nc(OC3(C)CC(N)C3)c12
InChIInChI=1S/C16H17F3N6O/c1-9-5-21-24-8-12(10-6-22-25(7-10)16(17,18)19)23-14(13(9)24)26-15(2)3-11(20)4-15/h5-8,11H,3-4,20H2,1-2H3
InChIKeyCJOBXSRYGPCSPX-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.64
Rot. Bonds3

About 3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine

3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine (PubChem CID 163301609) has the molecular formula C16H17F3N6O and a molecular weight of 366.35 g/mol. Its IUPAC name is 3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
PubChem CID163301609
Molecular FormulaC16H17F3N6O
Molecular Weight366.35 g/mol
Exact Mass366.14
IUPAC Name3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine
SMILESCc1cnn2cc(-c3cnn(C(F)(F)F)c3)nc(OC3(C)CC(N)C3)c12
InChIInChI=1S/C16H17F3N6O/c1-9-5-21-24-8-12(10-6-22-25(7-10)16(17,18)19)23-14(13(9)24)26-15(2)3-11(20)4-15/h5-8,11H,3-4,20H2,1-2H3
InChIKeyCJOBXSRYGPCSPX-UHFFFAOYSA-N
XLogP2.64
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The IUPAC name of 3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine (CID 163301609) is 3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine.
What is the SMILES notation for 3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The canonical SMILES for 3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine is Cc1cnn2cc(-c3cnn(C(F)(F)F)c3)nc(OC3(C)CC(N)C3)c12.
What is the InChIKey of 3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
The InChIKey is CJOBXSRYGPCSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O/c1-9-5-21-24-8-12(10-6-22-25(7-10)16(17,18)19)23-14(13(9)24)26-15(2)3-11(20)4-15/h5-8,11H,3-4,20H2,1-2H3.
What are the key properties of 3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine?
3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine has a molecular weight of 366.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[3-methyl-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine is sourced from PubChem (CID 163301609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).