2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine

C9H12ClN5O2S — CID 162739729

IUPAC2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine
SMILESCCS(=O)(=O)c1c(N)nc(-n2ccc(Cl)n2)n1C
InChIInChI=1S/C9H12ClN5O2S/c1-3-18(16,17)8-7(11)12-9(14(8)2)15-5-4-6(10)13-15/h4-5H,3,11H2,1-2H3
InChIKeyNCIMJRFNSLZJNE-UHFFFAOYSA-N
MW289.75 g/mol
LogP0.63
Rot. Bonds3

About 2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine

2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine (PubChem CID 162739729) has the molecular formula C9H12ClN5O2S and a molecular weight of 289.75 g/mol. Its IUPAC name is 2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine.

Molecular Properties

Compound Name2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine
PubChem CID162739729
Molecular FormulaC9H12ClN5O2S
Molecular Weight289.75 g/mol
Exact Mass289.04
IUPAC Name2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine
SMILESCCS(=O)(=O)c1c(N)nc(-n2ccc(Cl)n2)n1C
InChIInChI=1S/C9H12ClN5O2S/c1-3-18(16,17)8-7(11)12-9(14(8)2)15-5-4-6(10)13-15/h4-5H,3,11H2,1-2H3
InChIKeyNCIMJRFNSLZJNE-UHFFFAOYSA-N
XLogP0.63
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine?
The IUPAC name of 2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine (CID 162739729) is 2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine.
What is the SMILES notation for 2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine?
The canonical SMILES for 2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine is CCS(=O)(=O)c1c(N)nc(-n2ccc(Cl)n2)n1C.
What is the InChIKey of 2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine?
The InChIKey is NCIMJRFNSLZJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2S/c1-3-18(16,17)8-7(11)12-9(14(8)2)15-5-4-6(10)13-15/h4-5H,3,11H2,1-2H3.
What are the key properties of 2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine?
2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine has a molecular weight of 289.75 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-amine is sourced from PubChem (CID 162739729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).