3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride

C19H21ClF3N7O2 — CID 121378405

IUPAC3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride
SMILESCC(CC(F)(F)F)n1cc(-c2nc(-c3cnn(CC(O)CO)c3)cn3nccc23)cn1.Cl
InChIInChI=1S/C19H20F3N7O2.ClH/c1-12(4-19(20,21)22)28-8-14(6-25-28)18-17-2-3-23-29(17)10-16(26-18)13-5-24-27(7-13)9-15(31)11-30;/h2-3,5-8,10,12,15,30-31H,4,9,11H2,1H3;1H
InChIKeyNHXKXWMECQFNLN-UHFFFAOYSA-N
MW471.87 g/mol
LogP2.74
Rot. Bonds7

About 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride

3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride (PubChem CID 121378405) has the molecular formula C19H21ClF3N7O2 and a molecular weight of 471.87 g/mol. Its IUPAC name is 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride
PubChem CID121378405
Molecular FormulaC19H21ClF3N7O2
Molecular Weight471.87 g/mol
Exact Mass471.14
IUPAC Name3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride
SMILESCC(CC(F)(F)F)n1cc(-c2nc(-c3cnn(CC(O)CO)c3)cn3nccc23)cn1.Cl
InChIInChI=1S/C19H20F3N7O2.ClH/c1-12(4-19(20,21)22)28-8-14(6-25-28)18-17-2-3-23-29(17)10-16(26-18)13-5-24-27(7-13)9-15(31)11-30;/h2-3,5-8,10,12,15,30-31H,4,9,11H2,1H3;1H
InChIKeyNHXKXWMECQFNLN-UHFFFAOYSA-N
XLogP2.74
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.87
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride with MolForge

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Related Compounds

(2R)-3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 162620684
(2R)-3-[4-[4-[1-[(2S)-butan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 121390906
(2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 121390968
3-[4-[4-[1-[(2R)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 166736532
(2R)-3-[4-[4-[1-[(2S)-4-methylpentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2S)-3-[4-[4-[1-[(2R)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;(2R)-3-[4-[4-[1-[(2R)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 158416132
(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
CID 121391105
3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 121378427
3,3-dimethyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;3-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol;4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
CID 159718220
(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
CID 121390932
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378497
(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121391064
(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378368

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride?
The IUPAC name of 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride (CID 121378405) is 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride.
What is the SMILES notation for 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride?
The canonical SMILES for 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride is CC(CC(F)(F)F)n1cc(-c2nc(-c3cnn(CC(O)CO)c3)cn3nccc23)cn1.Cl.
What is the InChIKey of 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride?
The InChIKey is NHXKXWMECQFNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O2.ClH/c1-12(4-19(20,21)22)28-8-14(6-25-28)18-17-2-3-23-29(17)10-16(26-18)13-5-24-27(7-13)9-15(31)11-30;/h2-3,5-8,10,12,15,30-31H,4,9,11H2,1H3;1H.
What are the key properties of 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride?
3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride has a molecular weight of 471.87 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[1-(4,4,4-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol;hydrochloride is sourced from PubChem (CID 121378405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).