5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine

C10H10FN3O2S — CID 117390822

IUPAC5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine
SMILESCS(=O)(=O)c1cccc(F)c1-c1cc(N)n[nH]1
InChIInChI=1S/C10H10FN3O2S/c1-17(15,16)8-4-2-3-6(11)10(8)7-5-9(12)14-13-7/h2-5H,1H3,(H3,12,13,14)
InChIKeyREHQPZXNONMHGY-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.20
Rot. Bonds2

About 5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine

5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine (PubChem CID 117390822) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine
PubChem CID117390822
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Name5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine
SMILESCS(=O)(=O)c1cccc(F)c1-c1cc(N)n[nH]1
InChIInChI=1S/C10H10FN3O2S/c1-17(15,16)8-4-2-3-6(11)10(8)7-5-9(12)14-13-7/h2-5H,1H3,(H3,12,13,14)
InChIKeyREHQPZXNONMHGY-UHFFFAOYSA-N
XLogP1.20
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine (CID 117390822) is 5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine is CS(=O)(=O)c1cccc(F)c1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine?
The InChIKey is REHQPZXNONMHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c1-17(15,16)8-4-2-3-6(11)10(8)7-5-9(12)14-13-7/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine?
5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine has a molecular weight of 255.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylsulfonylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117390822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).