4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine

C12H12FN3OS — CID 117417284

IUPAC4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(SC2COC2)c(F)c1
InChIInChI=1S/C12H12FN3OS/c13-10-3-7(9-4-15-16-12(9)14)1-2-11(10)18-8-5-17-6-8/h1-4,8H,5-6H2,(H3,14,15,16)
InChIKeyLAJPJRKCYXZTKR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.29
Rot. Bonds3

About 4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine

4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117417284) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine
PubChem CID117417284
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(SC2COC2)c(F)c1
InChIInChI=1S/C12H12FN3OS/c13-10-3-7(9-4-15-16-12(9)14)1-2-11(10)18-8-5-17-6-8/h1-4,8H,5-6H2,(H3,14,15,16)
InChIKeyLAJPJRKCYXZTKR-UHFFFAOYSA-N
XLogP2.29
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine
CID 117376095
4-[3-chloro-4-(oxetan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117418426
4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117367818
5-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117475840
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
5-fluoro-2-(oxetan-3-ylsulfanyl)aniline
CID 79326153
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
3-fluoro-4-(oxetan-3-ylsulfanyl)benzaldehyde
CID 79333448
4-[3-bromo-4-(oxolan-3-yl)phenyl]-1H-pyrazol-5-amine
CID 117493096
6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one
CID 117388985
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117473928

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine (CID 117417284) is 4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(SC2COC2)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is LAJPJRKCYXZTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c13-10-3-7(9-4-15-16-12(9)14)1-2-11(10)18-8-5-17-6-8/h1-4,8H,5-6H2,(H3,14,15,16).
What are the key properties of 4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine?
4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 265.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117417284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).