5-methylsulfanyl-1-phenylmethoxypyrazole

C11H12N2OS — CID 10036414

IUPAC5-methylsulfanyl-1-phenylmethoxypyrazole
SMILESCSc1ccnn1OCc1ccccc1
InChIInChI=1S/C11H12N2OS/c1-15-11-7-8-12-13(11)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyNMAWEZHBRDBBOF-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.23
Rot. Bonds4

About 5-methylsulfanyl-1-phenylmethoxypyrazole

5-methylsulfanyl-1-phenylmethoxypyrazole (PubChem CID 10036414) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-methylsulfanyl-1-phenylmethoxypyrazole.

Molecular Properties

Compound Name5-methylsulfanyl-1-phenylmethoxypyrazole
PubChem CID10036414
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-methylsulfanyl-1-phenylmethoxypyrazole
SMILESCSc1ccnn1OCc1ccccc1
InChIInChI=1S/C11H12N2OS/c1-15-11-7-8-12-13(11)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyNMAWEZHBRDBBOF-UHFFFAOYSA-N
XLogP2.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole, 1-(phenylmethoxy)-
CID 10058015
5-Iodo-1-phenylmethoxypyrazole
CID 10063351
N-benzyloxy-4-methylpyrazole
CID 85807099
1-benzyloxy-5-tributylstannanyl-1H-pyrazole
CID 10479501
1-(4-Methyl-3-prop-2-enylsulfanylphenoxy)pyrazole
CID 67926392
1-(2-Phenylethoxy)pyrazole
CID 90946856
2-(5-Benzylsulfanylpyrazol-1-yl)oxyacetonitrile
CID 142642084
Ethane;4-methyl-1-phenylmethoxypyrazole
CID 168886623
5-Deuterio-1-phenylmethoxypyrazole
CID 10035103
Trimethyl-(2-phenylmethoxypyrazol-3-yl)silane
CID 10444615
1-Phenylmethoxy-4-thiophen-2-ylpyrazole
CID 10658740
4-Deuterio-1-phenylmethoxypyrazole
CID 10773589

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-phenylmethoxypyrazole?
The IUPAC name of 5-methylsulfanyl-1-phenylmethoxypyrazole (CID 10036414) is 5-methylsulfanyl-1-phenylmethoxypyrazole.
What is the SMILES notation for 5-methylsulfanyl-1-phenylmethoxypyrazole?
The canonical SMILES for 5-methylsulfanyl-1-phenylmethoxypyrazole is CSc1ccnn1OCc1ccccc1.
What is the InChIKey of 5-methylsulfanyl-1-phenylmethoxypyrazole?
The InChIKey is NMAWEZHBRDBBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-15-11-7-8-12-13(11)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 5-methylsulfanyl-1-phenylmethoxypyrazole?
5-methylsulfanyl-1-phenylmethoxypyrazole has a molecular weight of 220.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-phenylmethoxypyrazole is sourced from PubChem (CID 10036414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).