5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole

C16H14N2S — CID 2062407

IUPAC5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole
SMILESCc1[nH]nc(-c2ccccc2)c1Sc1ccccc1
InChIInChI=1S/C16H14N2S/c1-12-16(19-14-10-6-3-7-11-14)15(18-17-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,17,18)
InChIKeyRCASZSIXUCEYMF-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.54
Rot. Bonds3

About 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole

5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole (PubChem CID 2062407) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole
PubChem CID2062407
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole
SMILESCc1[nH]nc(-c2ccccc2)c1Sc1ccccc1
InChIInChI=1S/C16H14N2S/c1-12-16(19-14-10-6-3-7-11-14)15(18-17-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,17,18)
InChIKeyRCASZSIXUCEYMF-UHFFFAOYSA-N
XLogP4.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481
3-Benzyl-5-phenyl-1H-pyrazole
CID 283965
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline
CID 703197
3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole
CID 746386
5-(4-Fluorophenyl)-3-(methylsulfanyl)-1H-pyrazole
CID 2737479
2-(3-(Thiophen-2-YL)-1H-pyrazol-5-YL)aniline
CID 10514262
Zinc03848355
CID 2753112
4-((4-chlorophenyl)thio)-3-methyl-5-phenyl-1H-pyrazole
CID 746392
3,5-dimethyl-4-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole
CID 70753911

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole?
The IUPAC name of 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole (CID 2062407) is 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole?
The canonical SMILES for 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole is Cc1[nH]nc(-c2ccccc2)c1Sc1ccccc1.
What is the InChIKey of 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole?
The InChIKey is RCASZSIXUCEYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-12-16(19-14-10-6-3-7-11-14)15(18-17-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,17,18).
What are the key properties of 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole?
5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole has a molecular weight of 266.37 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-phenylsulfanyl-1H-pyrazole is sourced from PubChem (CID 2062407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).