(1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate

C25H18N2O3S — CID 42726775

IUPAC(1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate
SMILESO=S(=O)(Oc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H18N2O3S/c28-31(29,23-16-15-19-9-7-8-12-21(19)17-23)30-25-18-24(20-10-3-1-4-11-20)26-27(25)22-13-5-2-6-14-22/h1-18H
InChIKeyICSMVBJNZQIYPA-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.46
Rot. Bonds5

About (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate

(1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate (PubChem CID 42726775) has the molecular formula C25H18N2O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate
PubChem CID42726775
Molecular FormulaC25H18N2O3S
Molecular Weight426.50 g/mol
Exact Mass426.10
IUPAC Name(1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate
SMILESO=S(=O)(Oc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H18N2O3S/c28-31(29,23-16-15-19-9-7-8-12-21(19)17-23)30-25-18-24(20-10-3-1-4-11-20)26-27(25)22-13-5-2-6-14-22/h1-18H
InChIKeyICSMVBJNZQIYPA-UHFFFAOYSA-N
XLogP5.46
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl] naphthalene-1-sulfonate
CID 42726926
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-(trifluoromethyl)benzenesulfonate
CID 3419088
[1-(3-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-2-sulfonate
CID 42727225
[1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzenesulfonate
CID 42726871
3-(5-methyl-2-phenylpyrazol-3-yl)oxysulfonylbenzoic acid
CID 22696559
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl] naphthalene-1-carboxylate
CID 42726997
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
CID 1061728
1,3,5-triphenylpyrazole
CID 626614
N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-2-[naphthalen-2-ylsulfonyl(propyl)amino]acetamide
CID 4238725
(triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate
CID 87177204
(1,3-diphenylpyrazol-5-yl) 4-methylbenzoate
CID 42726766

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate?
The IUPAC name of (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate (CID 42726775) is (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate.
What is the SMILES notation for (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate?
The canonical SMILES for (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate is O=S(=O)(Oc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate?
The InChIKey is ICSMVBJNZQIYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3S/c28-31(29,23-16-15-19-9-7-8-12-21(19)17-23)30-25-18-24(20-10-3-1-4-11-20)26-27(25)22-13-5-2-6-14-22/h1-18H.
What are the key properties of (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate?
(1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate has a molecular weight of 426.50 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-5-yl) naphthalene-2-sulfonate is sourced from PubChem (CID 42726775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).