1-methyl-5-phenylsulfanylpyrazole

C10H10N2S — CID 101490041

IUPAC1-methyl-5-phenylsulfanylpyrazole
SMILESCn1nccc1Sc1ccccc1
InChIInChI=1S/C10H10N2S/c1-12-10(7-8-11-12)13-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyAXIGFHKLUJIGBU-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.57
Rot. Bonds2

About 1-methyl-5-phenylsulfanylpyrazole

1-methyl-5-phenylsulfanylpyrazole (PubChem CID 101490041) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-methyl-5-phenylsulfanylpyrazole.

Molecular Properties

Compound Name1-methyl-5-phenylsulfanylpyrazole
PubChem CID101490041
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name1-methyl-5-phenylsulfanylpyrazole
SMILESCn1nccc1Sc1ccccc1
InChIInChI=1S/C10H10N2S/c1-12-10(7-8-11-12)13-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyAXIGFHKLUJIGBU-UHFFFAOYSA-N
XLogP2.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylsulfanylpyrazole?
The IUPAC name of 1-methyl-5-phenylsulfanylpyrazole (CID 101490041) is 1-methyl-5-phenylsulfanylpyrazole.
What is the SMILES notation for 1-methyl-5-phenylsulfanylpyrazole?
The canonical SMILES for 1-methyl-5-phenylsulfanylpyrazole is Cn1nccc1Sc1ccccc1.
What is the InChIKey of 1-methyl-5-phenylsulfanylpyrazole?
The InChIKey is AXIGFHKLUJIGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-12-10(7-8-11-12)13-9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1-methyl-5-phenylsulfanylpyrazole?
1-methyl-5-phenylsulfanylpyrazole has a molecular weight of 190.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylsulfanylpyrazole is sourced from PubChem (CID 101490041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).