3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one

C10H12F3N3O2 — CID 126571037

IUPAC3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCC1CN(C(=O)C(O)C(F)(F)F)Cc2cn[nH]c21
InChIInChI=1S/C10H12F3N3O2/c1-5-3-16(4-6-2-14-15-7(5)6)9(18)8(17)10(11,12)13/h2,5,8,17H,3-4H2,1H3,(H,14,15)
InChIKeyUOSAQAGGGGVUCI-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.78
Rot. Bonds1

About 3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one

3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 126571037) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID126571037
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCC1CN(C(=O)C(O)C(F)(F)F)Cc2cn[nH]c21
InChIInChI=1S/C10H12F3N3O2/c1-5-3-16(4-6-2-14-15-7(5)6)9(18)8(17)10(11,12)13/h2,5,8,17H,3-4H2,1H3,(H,14,15)
InChIKeyUOSAQAGGGGVUCI-UHFFFAOYSA-N
XLogP0.78
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one (CID 126571037) is 3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one is CC1CN(C(=O)C(O)C(F)(F)F)Cc2cn[nH]c21.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is UOSAQAGGGGVUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5-3-16(4-6-2-14-15-7(5)6)9(18)8(17)10(11,12)13/h2,5,8,17H,3-4H2,1H3,(H,14,15).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one?
3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 263.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 126571037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).