1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine

C16H14FN3O2S — CID 935662

IUPAC1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
SMILESCc1cc(-c2cn(S(=O)(=O)c3ccccc3)nc2N)ccc1F
InChIInChI=1S/C16H14FN3O2S/c1-11-9-12(7-8-15(11)17)14-10-20(19-16(14)18)23(21,22)13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19)
InChIKeyMRGTYNRZKZJIJK-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.82
Rot. Bonds3

About 1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine

1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine (PubChem CID 935662) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
PubChem CID935662
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
SMILESCc1cc(-c2cn(S(=O)(=O)c3ccccc3)nc2N)ccc1F
InChIInChI=1S/C16H14FN3O2S/c1-11-9-12(7-8-15(11)17)14-10-20(19-16(14)18)23(21,22)13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19)
InChIKeyMRGTYNRZKZJIJK-UHFFFAOYSA-N
XLogP2.82
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
3-{3-amino-1-[(4-chlorophenyl)sulfonyl]-1H-pyrazol-4-yl}benzonitrile
CID 1259020
4-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
CID 1256527
1-(4-Bromophenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 2236864
N-tosyl-4-phenylpyrazole
CID 11254999
1-(Benzenesulfonyl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 972834
1-(4-Fluorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
CID 1256523
4-(4-Fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
CID 1258072
4-(4-Chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine
CID 1265059
1-(4-Chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine
CID 1299589
1-(4-Chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine
CID 1300177
4-(4-Chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine
CID 2234371

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine?
The IUPAC name of 1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine (CID 935662) is 1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine is Cc1cc(-c2cn(S(=O)(=O)c3ccccc3)nc2N)ccc1F.
What is the InChIKey of 1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine?
The InChIKey is MRGTYNRZKZJIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-11-9-12(7-8-15(11)17)14-10-20(19-16(14)18)23(21,22)13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19).
What are the key properties of 1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine?
1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine has a molecular weight of 331.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine is sourced from PubChem (CID 935662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).