1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine

C19H21N3O2S — CID 2992755

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESCC(C)(C)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-19(2,3)15-9-11-16(12-10-15)25(23,24)22-13-17(18(20)21-22)14-7-5-4-6-8-14/h4-13H,1-3H3,(H2,20,21)
InChIKeyIVUGJCNZRVNVJD-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.67
Rot. Bonds3

About 1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine

1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine (PubChem CID 2992755) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine
PubChem CID2992755
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESCC(C)(C)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-19(2,3)15-9-11-16(12-10-15)25(23,24)22-13-17(18(20)21-22)14-7-5-4-6-8-14/h4-13H,1-3H3,(H2,20,21)
InChIKeyIVUGJCNZRVNVJD-UHFFFAOYSA-N
XLogP3.67
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine (CID 2992755) is 1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine is CC(C)(C)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The InChIKey is IVUGJCNZRVNVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-19(2,3)15-9-11-16(12-10-15)25(23,24)22-13-17(18(20)21-22)14-7-5-4-6-8-14/h4-13H,1-3H3,(H2,20,21).
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine?
1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine has a molecular weight of 355.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine is sourced from PubChem (CID 2992755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).