N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane

C13H24FN3S — CID 169141920

IUPACN-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane
SMILESC.CC(C)(C)n1nc(C2CCC(F)C2)cc1NS
InChIInChI=1S/C12H20FN3S.CH4/c1-12(2,3)16-11(15-17)7-10(14-16)8-4-5-9(13)6-8;/h7-9,15,17H,4-6H2,1-3H3;1H4
InChIKeyRBFRFEAGZDDYLR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.14
Rot. Bonds2

About N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane

N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane (PubChem CID 169141920) has the molecular formula C13H24FN3S and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane.

Molecular Properties

Compound NameN-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane
PubChem CID169141920
Molecular FormulaC13H24FN3S
Molecular Weight273.42 g/mol
Exact Mass273.17
IUPAC NameN-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane
SMILESC.CC(C)(C)n1nc(C2CCC(F)C2)cc1NS
InChIInChI=1S/C12H20FN3S.CH4/c1-12(2,3)16-11(15-17)7-10(14-16)8-4-5-9(13)6-8;/h7-9,15,17H,4-6H2,1-3H3;1H4
InChIKeyRBFRFEAGZDDYLR-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol
CID 162681549
1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine
CID 177323818
1-tert-butyl-3-cyclopropylpyrazole-5-carbaldehyde
CID 155977856
1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine
CID 162343175
[(1R,3S)-3-[1-tert-butyl-5-[3-fluoro-4-(methylsulfonimidoyl)anilino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076168
[(1R,3S)-3-[1-tert-butyl-5-(oxane-4-carbonylamino)pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170072754
N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine
CID 175929455
cis-(1R,3S)-3-[1-tert-butyl-5-[(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)amino]pyrazol-3-yl]cyclopentan-1-ol
CID 176898690
[[1-tert-butyl-3-[(1R,3R,4R)-3-fluoro-4-hydroxycyclopentyl]pyrazol-5-yl]amino] benzoate
CID 170126168
tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate
CID 175555095
[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 154616674
[(1R,3S)-3-[5-[(5-acetamido-2-pyridinyl)amino]-1-tert-butylpyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874981

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane?
The IUPAC name of N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane (CID 169141920) is N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane.
What is the SMILES notation for N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane?
The canonical SMILES for N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane is C.CC(C)(C)n1nc(C2CCC(F)C2)cc1NS.
What is the InChIKey of N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane?
The InChIKey is RBFRFEAGZDDYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3S.CH4/c1-12(2,3)16-11(15-17)7-10(14-16)8-4-5-9(13)6-8;/h7-9,15,17H,4-6H2,1-3H3;1H4.
What are the key properties of N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane?
N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane has a molecular weight of 273.42 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-3-(3-fluorocyclopentyl)pyrazol-5-yl]thiohydroxylamine;methane is sourced from PubChem (CID 169141920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).