1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine

C16H15N3O3S — CID 126458326

IUPAC1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine
SMILESCOc1cccc(-c2cc(N)n(S(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C16H15N3O3S/c1-22-13-7-5-6-12(10-13)15-11-16(17)19(18-15)23(20,21)14-8-3-2-4-9-14/h2-11H,17H2,1H3
InChIKeyNXOZWDXDIVWZNV-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.38
Rot. Bonds4

About 1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine

1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine (PubChem CID 126458326) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine
PubChem CID126458326
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine
SMILESCOc1cccc(-c2cc(N)n(S(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C16H15N3O3S/c1-22-13-7-5-6-12(10-13)15-11-16(17)19(18-15)23(20,21)14-8-3-2-4-9-14/h2-11H,17H2,1H3
InChIKeyNXOZWDXDIVWZNV-UHFFFAOYSA-N
XLogP2.38
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 20867089
1-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazol-5-amine
CID 20873615
1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
CID 20873558
3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257924
3-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257909
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782
1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 43542770
[5-amino-1-(4-chlorophenyl)sulfonylpyrazol-3-yl] 3-methoxybenzoate
CID 100818513
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82881440
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 2-nitrobenzoate
CID 45485589
3-methoxybenzenesulfonamide
CID 14763060

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine?
The IUPAC name of 1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine (CID 126458326) is 1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine is COc1cccc(-c2cc(N)n(S(=O)(=O)c3ccccc3)n2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine?
The InChIKey is NXOZWDXDIVWZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-13-7-5-6-12(10-13)15-11-16(17)19(18-15)23(20,21)14-8-3-2-4-9-14/h2-11H,17H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine?
1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine has a molecular weight of 329.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 126458326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).