1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone

C8H10FN3O — CID 166919318

IUPAC1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
SMILESCC(=O)N1CCc2c(F)n[nH]c2C1
InChIInChI=1S/C8H10FN3O/c1-5(13)12-3-2-6-7(4-12)10-11-8(6)9/h2-4H2,1H3,(H,10,11)
InChIKeyOREHIHWBSGUHDH-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.45
Rot. Bonds

About 1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone

1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone (PubChem CID 166919318) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
PubChem CID166919318
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
SMILESCC(=O)N1CCc2c(F)n[nH]c2C1
InChIInChI=1S/C8H10FN3O/c1-5(13)12-3-2-6-7(4-12)10-11-8(6)9/h2-4H2,1H3,(H,10,11)
InChIKeyOREHIHWBSGUHDH-UHFFFAOYSA-N
XLogP0.45
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-iodo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 118561331
N-tert-butyl-3-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 72042931
N-[(4S)-2-methyl-4-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pentan-2-yl]acetamide
CID 129610433
tert-Butyl 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
CID 50992799
6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridine
CID 50992800
5-Acetyl-4,5,6,7-tetrahydro-3-(trifluoromethyl)pyrazolo-[4,3-C]-pyridine
CID 57373291
6-Propan-2-yl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 68211073
3-(1-Fluoroethyl)-6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 68383779
3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 69516954
3-(Trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 89231258
1-[3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 89583878
2-Methyl-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 117684397

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The IUPAC name of 1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone (CID 166919318) is 1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone is CC(=O)N1CCc2c(F)n[nH]c2C1.
What is the InChIKey of 1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The InChIKey is OREHIHWBSGUHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-5(13)12-3-2-6-7(4-12)10-11-8(6)9/h2-4H2,1H3,(H,10,11).
What are the key properties of 1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone has a molecular weight of 183.19 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 166919318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).