4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C17H17F2N7 — CID 121378418

IUPAC4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(n1cc(-c2nc(-c3cn[nH]c3)cn3nccc23)cn1)C(C)(F)F
InChIInChI=1S/C17H17F2N7/c1-3-15(17(2,18)19)26-9-12(8-23-26)16-14-4-5-22-25(14)10-13(24-16)11-6-20-21-7-11/h4-10,15H,3H2,1-2H3,(H,20,21)
InChIKeyQXEMPFLHNCBQOY-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.59
Rot. Bonds5

About 4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine

4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121378418) has the molecular formula C17H17F2N7 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121378418
Molecular FormulaC17H17F2N7
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(n1cc(-c2nc(-c3cn[nH]c3)cn3nccc23)cn1)C(C)(F)F
InChIInChI=1S/C17H17F2N7/c1-3-15(17(2,18)19)26-9-12(8-23-26)16-14-4-5-22-25(14)10-13(24-16)11-6-20-21-7-11/h4-10,15H,3H2,1-2H3,(H,20,21)
InChIKeyQXEMPFLHNCBQOY-UHFFFAOYSA-N
XLogP3.59
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(2-ethylcyclopentyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121378411
(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
4-[1-[(1S,2S)-2-methylcyclohexyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121378431
(2R,3S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
CID 121391023
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378497
(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
(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
(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
tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane
CID 140824954
(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
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
6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121390926

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121378418) is 4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC(n1cc(-c2nc(-c3cn[nH]c3)cn3nccc23)cn1)C(C)(F)F.
What is the InChIKey of 4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is QXEMPFLHNCBQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7/c1-3-15(17(2,18)19)26-9-12(8-23-26)16-14-4-5-22-25(14)10-13(24-16)11-6-20-21-7-11/h4-10,15H,3H2,1-2H3,(H,20,21).
What are the key properties of 4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 357.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121378418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).