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

C10H11N3O3S — CID 110867998

IUPAC1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc(N)n2)cc1
InChIInChI=1S/C10H11N3O3S/c1-16-8-2-4-9(5-3-8)17(14,15)13-7-6-10(11)12-13/h2-7H,1H3,(H2,11,12)
InChIKeyOIBYHCLXEAMTDO-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.71
Rot. Bonds3

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

1-(4-methoxyphenyl)sulfonylpyrazol-3-amine (PubChem CID 110867998) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
PubChem CID110867998
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc(N)n2)cc1
InChIInChI=1S/C10H11N3O3S/c1-16-8-2-4-9(5-3-8)17(14,15)13-7-6-10(11)12-13/h2-7H,1H3,(H2,11,12)
InChIKeyOIBYHCLXEAMTDO-UHFFFAOYSA-N
XLogP0.71
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine
CID 110868064
1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine
CID 110868062
3-methyl-1-[4-[4-(3-methylpyrazol-1-yl)sulfonylphenoxy]phenyl]sulfonylpyrazole
CID 138046155
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
CID 20873558
1-(3-nitrophenyl)sulfonylpyrazol-3-amine
CID 110868070
1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
CID 1259322
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175729102
1-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazol-5-amine
CID 20873615
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-(4-methoxyphenyl)sulfonyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
CID 155234560
3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257924

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonylpyrazol-3-amine (CID 110867998) is 1-(4-methoxyphenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonylpyrazol-3-amine is COc1ccc(S(=O)(=O)n2ccc(N)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonylpyrazol-3-amine?
The InChIKey is OIBYHCLXEAMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-16-8-2-4-9(5-3-8)17(14,15)13-7-6-10(11)12-13/h2-7H,1H3,(H2,11,12).
What are the key properties of 1-(4-methoxyphenyl)sulfonylpyrazol-3-amine?
1-(4-methoxyphenyl)sulfonylpyrazol-3-amine has a molecular weight of 253.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 110867998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).