N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine

C15H20FN3O2S — CID 99703213

IUPACN-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine
SMILESCCS(=O)(=O)C[C@H](C)Nc1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C15H20FN3O2S/c1-4-22(20,21)10-11(2)18-14-9-17-19(12(14)3)15-8-6-5-7-13(15)16/h5-9,11,18H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyRKXAEXITAUYNEV-NSHDSACASA-N
MW325.41 g/mol
LogP2.55
Rot. Bonds6

About N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine

N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine (PubChem CID 99703213) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine
PubChem CID99703213
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC NameN-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine
SMILESCCS(=O)(=O)C[C@H](C)Nc1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C15H20FN3O2S/c1-4-22(20,21)10-11(2)18-14-9-17-19(12(14)3)15-8-6-5-7-13(15)16/h5-9,11,18H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyRKXAEXITAUYNEV-NSHDSACASA-N
XLogP2.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 60866835
methanesulfonic acid, ((1-phenylpyrazol-4-yl)amino)-, monosodium salt
CID 23663457
N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-1,4-dithiepan-6-amine
CID 45208942
N-ethyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methylsulfonyl]propanamide
CID 53582062
3-(Ethylsulfonylmethyl)-1-(3-fluorophenyl)pyrazole
CID 53582987
3-(2-Ethoxyethylsulfonylmethyl)-1-(3-fluorophenyl)pyrazole
CID 53583013
3-[[1-(3-fluorophenyl)pyrazol-3-yl]methylsulfonyl]-N,N-dimethylpropanamide
CID 53598652
1-(3-Fluorophenyl)-3-(3-methylbut-2-enylsulfonylmethyl)pyrazole
CID 53608284
2-[[1-(3-fluorophenyl)pyrazol-3-yl]methylsulfonyl]-N,N-dimethylacetamide
CID 53619853
1-(5-Fluoro-2-pyrazol-1-ylphenyl)-3-(2-methylsulfinylethyl)urea
CID 71992291
1-ethyl-N-[2-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine
CID 43543688
N-{1-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}tetrahydro-2H-thiopyran-4-amine
CID 45205663

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine?
The IUPAC name of N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine (CID 99703213) is N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine.
What is the SMILES notation for N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine?
The canonical SMILES for N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine is CCS(=O)(=O)C[C@H](C)Nc1cnn(-c2ccccc2F)c1C.
What is the InChIKey of N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine?
The InChIKey is RKXAEXITAUYNEV-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FN3O2S/c1-4-22(20,21)10-11(2)18-14-9-17-19(12(14)3)15-8-6-5-7-13(15)16/h5-9,11,18H,4,10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine?
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine has a molecular weight of 325.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-(2-fluorophenyl)-5-methylpyrazol-4-amine is sourced from PubChem (CID 99703213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).