4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole

C11H11ClN2S — CID 153159520

IUPAC4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole
SMILESCSc1c(Cl)c(-c2ccccc2)nn1C
InChIInChI=1S/C11H11ClN2S/c1-14-11(15-2)9(12)10(13-14)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWCBPOORGWPGTEE-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.46
Rot. Bonds2

About 4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole

4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole (PubChem CID 153159520) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole.

Molecular Properties

Compound Name4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole
PubChem CID153159520
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole
SMILESCSc1c(Cl)c(-c2ccccc2)nn1C
InChIInChI=1S/C11H11ClN2S/c1-14-11(15-2)9(12)10(13-14)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWCBPOORGWPGTEE-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-methylsulfanyl-4-phenylimidazole
CID 130256791
5-fluoro-1-methyl-3,4-diphenylpyrazole
CID 174249239
2,4-dichloro-5-(4-chloro-1-methyl-5-methylsulfanylpyrazol-3-yl)benzenethiol
CID 15671973
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanone
CID 2763519
5-(2-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbonitrile
CID 1475516
1,5-dimethyl-3,4-diphenylpyrazole
CID 13146064
1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine
CID 169488969
4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine
CID 1480828
2-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione
CID 142754077
4-chloro-5-(cyclopenten-1-yl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine
CID 74220734
4-ethyl-1-methyl-3,5-diphenylpyrazole
CID 21441230
5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide
CID 3758412

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole?
The IUPAC name of 4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole (CID 153159520) is 4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole.
What is the SMILES notation for 4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole?
The canonical SMILES for 4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole is CSc1c(Cl)c(-c2ccccc2)nn1C.
What is the InChIKey of 4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole?
The InChIKey is WCBPOORGWPGTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-14-11(15-2)9(12)10(13-14)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole?
4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole has a molecular weight of 238.74 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole is sourced from PubChem (CID 153159520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).