1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone

C11H12F3N3O — CID 154755136

IUPAC1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCCc2[nH]ncc21)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)10(3-4-10)9(18)17-5-1-2-7-8(17)6-15-16-7/h6H,1-5H2,(H,15,16)
InChIKeyIPOATERQGAVATG-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.03
Rot. Bonds1

About 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone

1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 154755136) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID154755136
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCCc2[nH]ncc21)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)10(3-4-10)9(18)17-5-1-2-7-8(17)6-15-16-7/h6H,1-5H2,(H,15,16)
InChIKeyIPOATERQGAVATG-UHFFFAOYSA-N
XLogP2.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone (CID 154755136) is 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone is O=C(N1CCCc2[nH]ncc21)C1(C(F)(F)F)CC1.
What is the InChIKey of 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is IPOATERQGAVATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)10(3-4-10)9(18)17-5-1-2-7-8(17)6-15-16-7/h6H,1-5H2,(H,15,16).
What are the key properties of 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone?
1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 259.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 154755136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).