3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine

C17H17N3O3S — CID 20867089

IUPAC3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
SMILESCOc1cccc(-c2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)c1
InChIInChI=1S/C17H17N3O3S/c1-12-6-8-15(9-7-12)24(21,22)20-17(18)11-16(19-20)13-4-3-5-14(10-13)23-2/h3-11H,18H2,1-2H3
InChIKeyPFRBPSNYVCHRSU-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.69
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine

3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine (PubChem CID 20867089) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
PubChem CID20867089
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
SMILESCOc1cccc(-c2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)c1
InChIInChI=1S/C17H17N3O3S/c1-12-6-8-15(9-7-12)24(21,22)20-17(18)11-16(19-20)13-4-3-5-14(10-13)23-2/h3-11H,18H2,1-2H3
InChIKeyPFRBPSNYVCHRSU-UHFFFAOYSA-N
XLogP2.69
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 126458326
1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
CID 20873558
1-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazol-5-amine
CID 20873615
3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257924
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782
3-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257909
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-nitroindazole
CID 135007214
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101387033
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 3-methylbenzoate
CID 4225458
2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
CID 13482071
3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
CID 20873573

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine (CID 20867089) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine is COc1cccc(-c2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine?
The InChIKey is PFRBPSNYVCHRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-6-8-15(9-7-12)24(21,22)20-17(18)11-16(19-20)13-4-3-5-14(10-13)23-2/h3-11H,18H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine?
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine has a molecular weight of 343.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine is sourced from PubChem (CID 20867089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).