5-(4-phenylsulfanylphenyl)-1H-pyrazole

C15H12N2S — CID 1471991

IUPAC5-(4-phenylsulfanylphenyl)-1H-pyrazole
SMILESc1ccc(Sc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C15H12N2S/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17)
InChIKeyNCVWHNZGWKXUAE-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.23
Rot. Bonds3

About 5-(4-phenylsulfanylphenyl)-1H-pyrazole

5-(4-phenylsulfanylphenyl)-1H-pyrazole (PubChem CID 1471991) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-(4-phenylsulfanylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-phenylsulfanylphenyl)-1H-pyrazole
PubChem CID1471991
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name5-(4-phenylsulfanylphenyl)-1H-pyrazole
SMILESc1ccc(Sc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C15H12N2S/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17)
InChIKeyNCVWHNZGWKXUAE-UHFFFAOYSA-N
XLogP4.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylsulfanylphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-phenylsulfanylphenyl)-1H-pyrazole (CID 1471991) is 5-(4-phenylsulfanylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-phenylsulfanylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-phenylsulfanylphenyl)-1H-pyrazole is c1ccc(Sc2ccc(-c3ccn[nH]3)cc2)cc1.
What is the InChIKey of 5-(4-phenylsulfanylphenyl)-1H-pyrazole?
The InChIKey is NCVWHNZGWKXUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17).
What are the key properties of 5-(4-phenylsulfanylphenyl)-1H-pyrazole?
5-(4-phenylsulfanylphenyl)-1H-pyrazole has a molecular weight of 252.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylsulfanylphenyl)-1H-pyrazole is sourced from PubChem (CID 1471991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).