1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine

C22H27N3O6S — CID 4016740

IUPAC1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine
SMILESCCOc1cc(-c2cn(S(=O)(=O)c3ccc(OC)cc3)nc2N)cc(OCC)c1OCC
InChIInChI=1S/C22H27N3O6S/c1-5-29-19-12-15(13-20(30-6-2)21(19)31-7-3)18-14-25(24-22(18)23)32(26,27)17-10-8-16(28-4)9-11-17/h8-14H,5-7H2,1-4H3,(H2,23,24)
InChIKeyXOPFGBNBQMQCLV-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.57
Rot. Bonds10

About 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine

1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine (PubChem CID 4016740) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine
PubChem CID4016740
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine
SMILESCCOc1cc(-c2cn(S(=O)(=O)c3ccc(OC)cc3)nc2N)cc(OCC)c1OCC
InChIInChI=1S/C22H27N3O6S/c1-5-29-19-12-15(13-20(30-6-2)21(19)31-7-3)18-14-25(24-22(18)23)32(26,27)17-10-8-16(28-4)9-11-17/h8-14H,5-7H2,1-4H3,(H2,23,24)
InChIKeyXOPFGBNBQMQCLV-UHFFFAOYSA-N
XLogP3.57
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 972343
1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
CID 1259322
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
CID 2980653
1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 2992755
1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 935379
1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
CID 110867998
4-(3,4,5-triethoxyphenyl)-1,2-oxazol-3-amine
CID 973111
4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine
CID 2992359
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole
CID 2147482
[5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate
CID 166627901
1-(4-cyclohexylphenyl)sulfonyl-4-(2-methoxyphenyl)pyrazol-3-amine
CID 1248632

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine (CID 4016740) is 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine is CCOc1cc(-c2cn(S(=O)(=O)c3ccc(OC)cc3)nc2N)cc(OCC)c1OCC.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine?
The InChIKey is XOPFGBNBQMQCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-5-29-19-12-15(13-20(30-6-2)21(19)31-7-3)18-14-25(24-22(18)23)32(26,27)17-10-8-16(28-4)9-11-17/h8-14H,5-7H2,1-4H3,(H2,23,24).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine?
1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine has a molecular weight of 461.54 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine is sourced from PubChem (CID 4016740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).