4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine

C17H17N3O2S — CID 1256527

IUPAC4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
SMILESCc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)nc2N)cc1
InChIInChI=1S/C17H17N3O2S/c1-12-3-7-14(8-4-12)16-11-20(19-17(16)18)23(21,22)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H2,18,19)
InChIKeyHBFGVPMFUSEZCN-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.99
Rot. Bonds3

About 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine

4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine (PubChem CID 1256527) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
PubChem CID1256527
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
SMILESCc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)nc2N)cc1
InChIInChI=1S/C17H17N3O2S/c1-12-3-7-14(8-4-12)16-11-20(19-17(16)18)23(21,22)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H2,18,19)
InChIKeyHBFGVPMFUSEZCN-UHFFFAOYSA-N
XLogP2.99
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
4-(4-methylphenyl)-1-[(3-nitrophenyl)sulfonyl]-1H-pyrazol-3-amine
CID 1256380
1-(4-Bromophenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 2236864
N-tosyl-4-phenylpyrazole
CID 11254999
1-(Benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
CID 935662
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
1-(Benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine
CID 2986590

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine (CID 1256527) is 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine is Cc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)nc2N)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
The InChIKey is HBFGVPMFUSEZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-3-7-14(8-4-12)16-11-20(19-17(16)18)23(21,22)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H2,18,19).
What are the key properties of 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine has a molecular weight of 327.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 1256527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).