3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole

C14H15FN2 — CID 165488273

IUPAC3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC1CCc2[nH]nc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C14H15FN2/c1-9-5-6-13-12(7-9)14(17-16-13)10-3-2-4-11(15)8-10/h2-4,8-9H,5-7H2,1H3,(H,16,17)
InChIKeyQYMMQFQIJBVIIZ-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.34
Rot. Bonds1

About 3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole

3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 165488273) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID165488273
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC1CCc2[nH]nc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C14H15FN2/c1-9-5-6-13-12(7-9)14(17-16-13)10-3-2-4-11(15)8-10/h2-4,8-9H,5-7H2,1H3,(H,16,17)
InChIKeyQYMMQFQIJBVIIZ-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluorophenyl)-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
CID 102548839
3-(4-methoxyphenyl)-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1,2,4-oxadiazole
CID 42535018
1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
CID 31016341
3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole
CID 165488279
3-(3-fluorophenyl)-4,5-dimethyl-1H-pyridazine-6-thione
CID 106515408
(7S)-2-(3-fluorophenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462538
5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 45242211
6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide
CID 56749115
1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene
CID 18720860
[(2S)-2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 92617710
3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
CID 144999929
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498783

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole (CID 165488273) is 3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole is CC1CCc2[nH]nc(-c3cccc(F)c3)c2C1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is QYMMQFQIJBVIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-9-5-6-13-12(7-9)14(17-16-13)10-3-2-4-11(15)8-10/h2-4,8-9H,5-7H2,1H3,(H,16,17).
What are the key properties of 3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 230.29 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 165488273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).