4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine

C11H13N3O2S — CID 68865421

IUPAC4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine
SMILESCc1ccc(CS(=O)(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C11H13N3O2S/c1-8-2-4-9(5-3-8)7-17(15,16)10-6-13-14-11(10)12/h2-6H,7H2,1H3,(H3,12,13,14)
InChIKeyQUHZZIQQJIBBJL-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.27
Rot. Bonds3

About 4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine

4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine (PubChem CID 68865421) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine
PubChem CID68865421
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine
SMILESCc1ccc(CS(=O)(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C11H13N3O2S/c1-8-2-4-9(5-3-8)7-17(15,16)10-6-13-14-11(10)12/h2-6H,7H2,1H3,(H3,12,13,14)
InChIKeyQUHZZIQQJIBBJL-UHFFFAOYSA-N
XLogP1.27
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine (CID 68865421) is 4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine is Cc1ccc(CS(=O)(=O)c2cn[nH]c2N)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine?
The InChIKey is QUHZZIQQJIBBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8-2-4-9(5-3-8)7-17(15,16)10-6-13-14-11(10)12/h2-6H,7H2,1H3,(H3,12,13,14).
What are the key properties of 4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine?
4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine has a molecular weight of 251.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylsulfonyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 68865421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).