3-(3-fluorophenyl)-1-methylpyrazolidine

C10H13FN2 — CID 163747853

IUPAC3-(3-fluorophenyl)-1-methylpyrazolidine
SMILESCN1CCC(c2cccc(F)c2)N1
InChIInChI=1S/C10H13FN2/c1-13-6-5-10(12-13)8-3-2-4-9(11)7-8/h2-4,7,10,12H,5-6H2,1H3
InChIKeyLNKVBHVAGUCELJ-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.71
Rot. Bonds1

About 3-(3-fluorophenyl)-1-methylpyrazolidine

3-(3-fluorophenyl)-1-methylpyrazolidine (PubChem CID 163747853) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-methylpyrazolidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-methylpyrazolidine
PubChem CID163747853
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-(3-fluorophenyl)-1-methylpyrazolidine
SMILESCN1CCC(c2cccc(F)c2)N1
InChIInChI=1S/C10H13FN2/c1-13-6-5-10(12-13)8-3-2-4-9(11)7-8/h2-4,7,10,12H,5-6H2,1H3
InChIKeyLNKVBHVAGUCELJ-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 67330070
4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116978279
(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine
CID 138487672
(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 96623121
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
CID 84673420
[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
CID 105462009
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
6-(3-fluorophenyl)-2,2-dimethylpiperazine
CID 82395314
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83242288
4-(3-aminophenyl)-1-methyl-1,3-diazinan-2-one
CID 105457644

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-methylpyrazolidine?
The IUPAC name of 3-(3-fluorophenyl)-1-methylpyrazolidine (CID 163747853) is 3-(3-fluorophenyl)-1-methylpyrazolidine.
What is the SMILES notation for 3-(3-fluorophenyl)-1-methylpyrazolidine?
The canonical SMILES for 3-(3-fluorophenyl)-1-methylpyrazolidine is CN1CCC(c2cccc(F)c2)N1.
What is the InChIKey of 3-(3-fluorophenyl)-1-methylpyrazolidine?
The InChIKey is LNKVBHVAGUCELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-13-6-5-10(12-13)8-3-2-4-9(11)7-8/h2-4,7,10,12H,5-6H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-methylpyrazolidine?
3-(3-fluorophenyl)-1-methylpyrazolidine has a molecular weight of 180.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-methylpyrazolidine is sourced from PubChem (CID 163747853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).