1-benzyl-5-methylsulfanylpyrazole

C11H12N2S — CID 15683216

IUPAC1-benzyl-5-methylsulfanylpyrazole
SMILESCSc1ccnn1Cc1ccccc1
InChIInChI=1S/C11H12N2S/c1-14-11-7-8-12-13(11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeySWSZEFLPVBWTAS-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.65
Rot. Bonds3

About 1-benzyl-5-methylsulfanylpyrazole

1-benzyl-5-methylsulfanylpyrazole (PubChem CID 15683216) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-benzyl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name1-benzyl-5-methylsulfanylpyrazole
PubChem CID15683216
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1-benzyl-5-methylsulfanylpyrazole
SMILESCSc1ccnn1Cc1ccccc1
InChIInChI=1S/C11H12N2S/c1-14-11-7-8-12-13(11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeySWSZEFLPVBWTAS-UHFFFAOYSA-N
XLogP2.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-(1-chloroethyl)pyrazole
CID 121008900
2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
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5-chloro-1-[(3-methylphenyl)methyl]pyrazole
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1-benzyl-2-methylsulfanylpyrrole
CID 15638991
1-benzyl-5-nitropyrazole
CID 15740730
2-(2-benzylpyrazol-3-yl)-2-oxoacetic acid
CID 83391417
2-benzyl-3-oxopyridazine-4-carboxylic acid
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1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone
CID 115030502
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
10-benzyl-9-(methylsulfanylmethylidene)acridine
CID 142258120

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methylsulfanylpyrazole?
The IUPAC name of 1-benzyl-5-methylsulfanylpyrazole (CID 15683216) is 1-benzyl-5-methylsulfanylpyrazole.
What is the SMILES notation for 1-benzyl-5-methylsulfanylpyrazole?
The canonical SMILES for 1-benzyl-5-methylsulfanylpyrazole is CSc1ccnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methylsulfanylpyrazole?
The InChIKey is SWSZEFLPVBWTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-14-11-7-8-12-13(11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 1-benzyl-5-methylsulfanylpyrazole?
1-benzyl-5-methylsulfanylpyrazole has a molecular weight of 204.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methylsulfanylpyrazole is sourced from PubChem (CID 15683216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).