1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine

C11H12Cl2N4O2S — CID 102825463

IUPAC1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCNc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H12Cl2N4O2S/c1-15-11-9(20(2,18)19)10(14)17(16-11)6-3-4-7(12)8(13)5-6/h3-5H,14H2,1-2H3,(H,15,16)
InChIKeySQOGYZMCOHYYRZ-UHFFFAOYSA-N
MW335.22 g/mol
LogP2.21
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine

1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102825463) has the molecular formula C11H12Cl2N4O2S and a molecular weight of 335.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102825463
Molecular FormulaC11H12Cl2N4O2S
Molecular Weight335.22 g/mol
Exact Mass334.01
IUPAC Name1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCNc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H12Cl2N4O2S/c1-15-11-9(20(2,18)19)10(14)17(16-11)6-3-4-7(12)8(13)5-6/h3-5H,14H2,1-2H3,(H,15,16)
InChIKeySQOGYZMCOHYYRZ-UHFFFAOYSA-N
XLogP2.21
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826426
1-(4-chlorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
CID 102825456
3-N-methyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102826164
1-(3-bromophenyl)-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
CID 102825818
methyl 5-amino-1-(4-chloro-3-fluorophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102809174
3-N-methyl-1-[(4-methylphenyl)methyl]-4-methylsulfonylpyrazole-3,5-diamine
CID 102825796
5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795388
3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-pyridin-4-ylpyrazole-3,5-diamine
CID 102825845
1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826188
2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid
CID 142894230
1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102825783
3-methylsulfanyl-4-methylsulfonyl-1-phenylpyrazol-5-amine
CID 134094762

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102825463) is 1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine is CNc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is SQOGYZMCOHYYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2S/c1-15-11-9(20(2,18)19)10(14)17(16-11)6-3-4-7(12)8(13)5-6/h3-5H,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 335.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102825463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).