5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole

C8H12N2S — CID 170099680

IUPAC5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole
SMILESCSc1cc(C2CC2)n(C)n1
InChIInChI=1S/C8H12N2S/c1-10-7(6-3-4-6)5-8(9-10)11-2/h5-6H,3-4H2,1-2H3
InChIKeyALSRQKXDDHAVJE-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.02
Rot. Bonds2

About 5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole

5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole (PubChem CID 170099680) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole
PubChem CID170099680
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole
SMILESCSc1cc(C2CC2)n(C)n1
InChIInChI=1S/C8H12N2S/c1-10-7(6-3-4-6)5-8(9-10)11-2/h5-6H,3-4H2,1-2H3
InChIKeyALSRQKXDDHAVJE-UHFFFAOYSA-N
XLogP2.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole
CID 129092914
3-(Difluoromethylsulfanyl)-1-methyl-5-(2-methylhexan-2-yl)pyrazole
CID 134214038
5-Ethyl-1-methyl-3-(trifluoromethylsulfanyl)pyrazole
CID 144946137
3-Ethyl-1-methyl-5-(trifluoromethylsulfanyl)pyrazole
CID 144946162
[5-Tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-yl] thiocyanate
CID 164559065
[5-(1,1-Difluoropropyl)-1-methylpyrazol-3-yl] thiocyanate
CID 164560223
1,3-Dimethyl-5-propan-2-ylpyrazole
CID 10630561
3-Isopropyl-1,5-dimethyl-1H-pyrazole
CID 10796815
3-Tert-butyl-1-methyl-5-methylsulfanylpyrazole
CID 2777151
3-Cyclopropyl-1,5-dimethylpyrazole
CID 21365771
5-Tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole
CID 58263619
5-Tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole
CID 58264046

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole?
The IUPAC name of 5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole (CID 170099680) is 5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole.
What is the SMILES notation for 5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole?
The canonical SMILES for 5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole is CSc1cc(C2CC2)n(C)n1.
What is the InChIKey of 5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole?
The InChIKey is ALSRQKXDDHAVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-10-7(6-3-4-6)5-8(9-10)11-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole?
5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole has a molecular weight of 168.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-3-methylsulfanylpyrazole is sourced from PubChem (CID 170099680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).