1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine

C12H15ClN4O2S — CID 102825783

IUPAC1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCN(C)c1nn(-c2ccccc2Cl)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H15ClN4O2S/c1-16(2)12-10(20(3,18)19)11(14)17(15-12)9-7-5-4-6-8(9)13/h4-7H,14H2,1-3H3
InChIKeyFODSCJAWGAEFBL-UHFFFAOYSA-N
MW314.80 g/mol
LogP1.58
Rot. Bonds3

About 1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine

1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102825783) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102825783
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCN(C)c1nn(-c2ccccc2Cl)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H15ClN4O2S/c1-16(2)12-10(20(3,18)19)11(14)17(15-12)9-7-5-4-6-8(9)13/h4-7H,14H2,1-3H3
InChIKeyFODSCJAWGAEFBL-UHFFFAOYSA-N
XLogP1.58
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102825783) is 1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine is CN(C)c1nn(-c2ccccc2Cl)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is FODSCJAWGAEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-16(2)12-10(20(3,18)19)11(14)17(15-12)9-7-5-4-6-8(9)13/h4-7H,14H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine?
1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 314.80 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102825783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).