1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone

C9H11FN2O — CID 105439971

IUPAC1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone
SMILESCC(=O)c1n[nH]c2c1C(F)CCC2
InChIInChI=1S/C9H11FN2O/c1-5(13)9-8-6(10)3-2-4-7(8)11-12-9/h6H,2-4H2,1H3,(H,11,12)
InChIKeyJIWYMLAJZWFIIT-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.96
Rot. Bonds1

About 1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone

1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone (PubChem CID 105439971) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone
PubChem CID105439971
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone
SMILESCC(=O)c1n[nH]c2c1C(F)CCC2
InChIInChI=1S/C9H11FN2O/c1-5(13)9-8-6(10)3-2-4-7(8)11-12-9/h6H,2-4H2,1H3,(H,11,12)
InChIKeyJIWYMLAJZWFIIT-UHFFFAOYSA-N
XLogP1.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde
CID 105433699
1-(4-fluoro-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanone
CID 105440426
1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone
CID 82372744
6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 83854750
(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110674214
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110026262
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide
CID 145143426
3-ethyl-N-methyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 83861924
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
(5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 95990047

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone?
The IUPAC name of 1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone (CID 105439971) is 1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone is CC(=O)c1n[nH]c2c1C(F)CCC2.
What is the InChIKey of 1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone?
The InChIKey is JIWYMLAJZWFIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-5(13)9-8-6(10)3-2-4-7(8)11-12-9/h6H,2-4H2,1H3,(H,11,12).
What are the key properties of 1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone?
1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone has a molecular weight of 182.20 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanone is sourced from PubChem (CID 105439971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).