4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine

C12H14BrN3O2S — CID 104519711

IUPAC4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
SMILESCC(c1[nH]nc(N)c1-c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C12H14BrN3O2S/c1-7(19(2,17)18)11-10(12(14)16-15-11)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H3,14,15,16)
InChIKeyOPSTVXSHYQDZPT-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.53
Rot. Bonds3

About 4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine

4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine (PubChem CID 104519711) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
PubChem CID104519711
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
SMILESCC(c1[nH]nc(N)c1-c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C12H14BrN3O2S/c1-7(19(2,17)18)11-10(12(14)16-15-11)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H3,14,15,16)
InChIKeyOPSTVXSHYQDZPT-UHFFFAOYSA-N
XLogP2.53
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine
CID 83154716
5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 104519732
4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519635
4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 62829467
4-(2-bromophenyl)-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 62831030
4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118857
4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 62829643
4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
CID 114752943
4-(2-bromophenyl)-5-octyl-1H-pyrazol-3-amine
CID 65428452
4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine
CID 104670712
4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 62830687
5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine
CID 62829642

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine (CID 104519711) is 4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine is CC(c1[nH]nc(N)c1-c1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of 4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
The InChIKey is OPSTVXSHYQDZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-7(19(2,17)18)11-10(12(14)16-15-11)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H3,14,15,16).
What are the key properties of 4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine has a molecular weight of 344.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 104519711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).