1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole

C11H10F2N2OS — CID 175299041

IUPAC1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole
SMILESCSc1cc(OC(F)F)cc(-n2cccn2)c1
InChIInChI=1S/C11H10F2N2OS/c1-17-10-6-8(15-4-2-3-14-15)5-9(7-10)16-11(12)13/h2-7,11H,1H3
InChIKeyYBPOKAKTEXPXIV-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.20
Rot. Bonds4

About 1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole

1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole (PubChem CID 175299041) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole
PubChem CID175299041
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole
SMILESCSc1cc(OC(F)F)cc(-n2cccn2)c1
InChIInChI=1S/C11H10F2N2OS/c1-17-10-6-8(15-4-2-3-14-15)5-9(7-10)16-11(12)13/h2-7,11H,1H3
InChIKeyYBPOKAKTEXPXIV-UHFFFAOYSA-N
XLogP3.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-(difluoromethoxy)-5-methylsulfanylbenzene
CID 121227926
1-(4-propan-2-yloxyphenyl)pyrazole
CID 171743656
4-(difluoromethoxy)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 70751227
1-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 22025364
3-methoxy-5-pyrazol-1-ylphenol
CID 165141321
1-[4-[(4-pyrazol-1-ylphenyl)disulfanyl]phenyl]pyrazole
CID 90924211
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
CID 174835296
1-[5-(difluoromethoxy)-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 129045080
(3-pyrazol-1-ylphenyl) acetate
CID 67940109
N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
CID 86991823
3-fluoro-5-pyrazol-1-ylpyridine
CID 68804275

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole?
The IUPAC name of 1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole (CID 175299041) is 1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole.
What is the SMILES notation for 1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole?
The canonical SMILES for 1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole is CSc1cc(OC(F)F)cc(-n2cccn2)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole?
The InChIKey is YBPOKAKTEXPXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c1-17-10-6-8(15-4-2-3-14-15)5-9(7-10)16-11(12)13/h2-7,11H,1H3.
What are the key properties of 1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole?
1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole has a molecular weight of 256.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazole is sourced from PubChem (CID 175299041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).