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

C14H15FN4O — CID 134147360

IUPAC1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]nc(Nc3ccc(F)cc3)c2C1
InChIInChI=1S/C14H15FN4O/c1-9(20)19-7-6-13-12(8-19)14(18-17-13)16-11-4-2-10(15)3-5-11/h2-5H,6-8H2,1H3,(H2,16,17,18)
InChIKeyLZLCEALADWYUJD-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.20
Rot. Bonds2

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

1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 134147360) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID134147360
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]nc(Nc3ccc(F)cc3)c2C1
InChIInChI=1S/C14H15FN4O/c1-9(20)19-7-6-13-12(8-19)14(18-17-13)16-11-4-2-10(15)3-5-11/h2-5H,6-8H2,1H3,(H2,16,17,18)
InChIKeyLZLCEALADWYUJD-UHFFFAOYSA-N
XLogP2.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Phenylazanyl-1,4,6,7-Tetrahydropyrazolo[4,3-C]pyridin-5-Yl)ethanone
CID 95828281
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-4-(dimethylamino)butanamide
CID 6539560
1-[6,6-Dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-(3-fluorophenyl)urea
CID 10431940
N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59174010
1-(3-(m-tolylamino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 121365342
US9763922, Example 44
CID 121372691
1-[1-(cyclopropylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372879
1-[1-methyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372897
1-[1-benzyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372898
3-(5-acetyl-3-(m-tolylamino)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propanenitrile
CID 121373031
1-(1-cyclopropyl-3-(m-tolylamino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 121373042
1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373206

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 134147360) is 1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2[nH]nc(Nc3ccc(F)cc3)c2C1.
What is the InChIKey of 1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is LZLCEALADWYUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-9(20)19-7-6-13-12(8-19)14(18-17-13)16-11-4-2-10(15)3-5-11/h2-5H,6-8H2,1H3,(H2,16,17,18).
What are the key properties of 1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 274.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoroanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 134147360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).