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

C21H24F3N7O — CID 121391091

IUPAC4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CC(F)(F)F)c3)cn3nccc23)cn1
InChIInChI=1S/C21H24F3N7O/c1-3-16(4-2)30-11-15(9-27-30)20-19-5-6-25-31(19)13-18(28-20)14-8-26-29(10-14)12-17(32)7-21(22,23)24/h5-6,8-11,13,16-17,32H,3-4,7,12H2,1-2H3
InChIKeySGQLCLSFJLVFRY-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.13
Rot. Bonds8

About 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

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 (PubChem CID 121391091) has the molecular formula C21H24F3N7O and a molecular weight of 447.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
PubChem CID121391091
Molecular FormulaC21H24F3N7O
Molecular Weight447.47 g/mol
Exact Mass447.20
IUPAC Name4,4,4-trifluoro-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CC(F)(F)F)c3)cn3nccc23)cn1
InChIInChI=1S/C21H24F3N7O/c1-3-16(4-2)30-11-15(9-27-30)20-19-5-6-25-31(19)13-18(28-20)14-8-26-29(10-14)12-17(32)7-21(22,23)24/h5-6,8-11,13,16-17,32H,3-4,7,12H2,1-2H3
InChIKeySGQLCLSFJLVFRY-UHFFFAOYSA-N
XLogP4.13
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 121391091) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CC(F)(F)F)c3)cn3nccc23)cn1.
What is the InChIKey of 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?
The InChIKey is SGQLCLSFJLVFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O/c1-3-16(4-2)30-11-15(9-27-30)20-19-5-6-25-31(19)13-18(28-20)14-8-26-29(10-14)12-17(32)7-21(22,23)24/h5-6,8-11,13,16-17,32H,3-4,7,12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 447.47 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121391091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).