4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine

C11H12ClN3O2S — CID 117460274

IUPAC4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc(S(C)(=O)=O)ccc2Cl)c1N
InChIInChI=1S/C11H12ClN3O2S/c1-15-11(13)9(6-14-15)8-5-7(18(2,16)17)3-4-10(8)12/h3-6H,13H2,1-2H3
InChIKeySUAFTVPIYNMJRM-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.73
Rot. Bonds2

About 4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine

4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117460274) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
PubChem CID117460274
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc(S(C)(=O)=O)ccc2Cl)c1N
InChIInChI=1S/C11H12ClN3O2S/c1-15-11(13)9(6-14-15)8-5-7(18(2,16)17)3-4-10(8)12/h3-6H,13H2,1-2H3
InChIKeySUAFTVPIYNMJRM-UHFFFAOYSA-N
XLogP1.73
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine (CID 117460274) is 4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cc(S(C)(=O)=O)ccc2Cl)c1N.
What is the InChIKey of 4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is SUAFTVPIYNMJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-15-11(13)9(6-14-15)8-5-7(18(2,16)17)3-4-10(8)12/h3-6H,13H2,1-2H3.
What are the key properties of 4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine?
4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 285.76 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117460274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).