5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine

C11H12ClN3O3S — CID 117485866

IUPAC5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(Cl)cc(-c2cc(N)n[nH]2)cc1S(C)(=O)=O
InChIInChI=1S/C11H12ClN3O3S/c1-18-11-7(12)3-6(4-9(11)19(2,16)17)8-5-10(13)15-14-8/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyUXSDRTQEUZJNQA-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.72
Rot. Bonds3

About 5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine

5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine (PubChem CID 117485866) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine
PubChem CID117485866
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC Name5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(Cl)cc(-c2cc(N)n[nH]2)cc1S(C)(=O)=O
InChIInChI=1S/C11H12ClN3O3S/c1-18-11-7(12)3-6(4-9(11)19(2,16)17)8-5-10(13)15-14-8/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyUXSDRTQEUZJNQA-UHFFFAOYSA-N
XLogP1.72
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine (CID 117485866) is 5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine is COc1c(Cl)cc(-c2cc(N)n[nH]2)cc1S(C)(=O)=O.
What is the InChIKey of 5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine?
The InChIKey is UXSDRTQEUZJNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-18-11-7(12)3-6(4-9(11)19(2,16)17)8-5-10(13)15-14-8/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine?
5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine has a molecular weight of 301.76 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117485866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).