4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine

C10H9F2N3O2S — CID 117435379

IUPAC4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
SMILESCS(=O)(=O)c1ccc(F)c(-c2cn[nH]c2N)c1F
InChIInChI=1S/C10H9F2N3O2S/c1-18(16,17)7-3-2-6(11)8(9(7)12)5-4-14-15-10(5)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyLEVDEFQCWGFQTJ-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.34
Rot. Bonds2

About 4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine

4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine (PubChem CID 117435379) has the molecular formula C10H9F2N3O2S and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
PubChem CID117435379
Molecular FormulaC10H9F2N3O2S
Molecular Weight273.26 g/mol
Exact Mass273.04
IUPAC Name4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
SMILESCS(=O)(=O)c1ccc(F)c(-c2cn[nH]c2N)c1F
InChIInChI=1S/C10H9F2N3O2S/c1-18(16,17)7-3-2-6(11)8(9(7)12)5-4-14-15-10(5)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyLEVDEFQCWGFQTJ-UHFFFAOYSA-N
XLogP1.34
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117354762
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117432033
4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117460558
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
CID 117393162
4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117459290
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine
CID 117372261
4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine
CID 70393584
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5-difluorophenol
CID 117468094
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine (CID 117435379) is 4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine is CS(=O)(=O)c1ccc(F)c(-c2cn[nH]c2N)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine?
The InChIKey is LEVDEFQCWGFQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2S/c1-18(16,17)7-3-2-6(11)8(9(7)12)5-4-14-15-10(5)13/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine?
4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine has a molecular weight of 273.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117435379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).