2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone

C8H9F2N3O — CID 131204220

IUPAC2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(C(F)F)N1CCc2[nH]ncc2C1
InChIInChI=1S/C8H9F2N3O/c9-7(10)8(14)13-2-1-6-5(4-13)3-11-12-6/h3,7H,1-2,4H2,(H,11,12)
InChIKeySZNBIEIFBGZYAV-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.56
Rot. Bonds1

About 2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone

2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 131204220) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID131204220
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(C(F)F)N1CCc2[nH]ncc2C1
InChIInChI=1S/C8H9F2N3O/c9-7(10)8(14)13-2-1-6-5(4-13)3-11-12-6/h3,7H,1-2,4H2,(H,11,12)
InChIKeySZNBIEIFBGZYAV-UHFFFAOYSA-N
XLogP0.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine
CID 10398680
tert-Butyl 7,7-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
CID 37818370
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527256
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 2760583
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527165
5-methyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine
CID 20825790
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
4,5,6,7-Tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
CID 46916246
hydron;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;chloride
CID 155433413
5-[(3,3-Difluorocyclobutyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 126791233
1-Propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea
CID 126817155
(2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 164643197

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (CID 131204220) is 2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is O=C(C(F)F)N1CCc2[nH]ncc2C1.
What is the InChIKey of 2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is SZNBIEIFBGZYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-7(10)8(14)13-2-1-6-5(4-13)3-11-12-6/h3,7H,1-2,4H2,(H,11,12).
What are the key properties of 2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 201.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 131204220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).