4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C19H19F3N8O2S — CID 121390964

IUPAC4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC1(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)CN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C19H19F3N8O2S/c1-3-18(11-28(12-18)33(31,32)19(20,21)22)30-9-14(7-25-30)17-16-4-5-23-29(16)10-15(26-17)13-6-24-27(2)8-13/h4-10H,3,11-12H2,1-2H3
InChIKeyNICFJHSFKDJWCZ-UHFFFAOYSA-N
MW480.48 g/mol
LogP2.26
Rot. Bonds5

About 4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121390964) has the molecular formula C19H19F3N8O2S and a molecular weight of 480.48 g/mol. Its IUPAC name is 4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121390964
Molecular FormulaC19H19F3N8O2S
Molecular Weight480.48 g/mol
Exact Mass480.13
IUPAC Name4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC1(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)CN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C19H19F3N8O2S/c1-3-18(11-28(12-18)33(31,32)19(20,21)22)30-9-14(7-25-30)17-16-4-5-23-29(16)10-15(26-17)13-6-24-27(2)8-13/h4-10H,3,11-12H2,1-2H3
InChIKeyNICFJHSFKDJWCZ-UHFFFAOYSA-N
XLogP2.26
TPSA103.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121390964) is 4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC1(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is NICFJHSFKDJWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N8O2S/c1-3-18(11-28(12-18)33(31,32)19(20,21)22)30-9-14(7-25-30)17-16-4-5-23-29(16)10-15(26-17)13-6-24-27(2)8-13/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 480.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121390964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).