1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine

C17H17N3O4S — CID 5309703

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
SMILESCOc1ccc(OC)c(S(=O)(=O)n2nc(-c3ccccc3)cc2N)c1
InChIInChI=1S/C17H17N3O4S/c1-23-13-8-9-15(24-2)16(10-13)25(21,22)20-17(18)11-14(19-20)12-6-4-3-5-7-12/h3-11H,18H2,1-2H3
InChIKeyMPYGVPURJCQPQV-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.39
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine

1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine (PubChem CID 5309703) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
PubChem CID5309703
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
SMILESCOc1ccc(OC)c(S(=O)(=O)n2nc(-c3ccccc3)cc2N)c1
InChIInChI=1S/C17H17N3O4S/c1-23-13-8-9-15(24-2)16(10-13)25(21,22)20-17(18)11-14(19-20)12-6-4-3-5-7-12/h3-11H,18H2,1-2H3
InChIKeyMPYGVPURJCQPQV-UHFFFAOYSA-N
XLogP2.39
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine (CID 5309703) is 1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine is COc1ccc(OC)c(S(=O)(=O)n2nc(-c3ccccc3)cc2N)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine?
The InChIKey is MPYGVPURJCQPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-23-13-8-9-15(24-2)16(10-13)25(21,22)20-17(18)11-14(19-20)12-6-4-3-5-7-12/h3-11H,18H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine?
1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine has a molecular weight of 359.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 5309703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).