1-ethylsulfonyl-3-phenylpyrazol-5-amine

C11H13N3O2S — CID 5307362

IUPAC1-ethylsulfonyl-3-phenylpyrazol-5-amine
SMILESCCS(=O)(=O)n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C11H13N3O2S/c1-2-17(15,16)14-11(12)8-10(13-14)9-6-4-3-5-7-9/h3-8H,2,12H2,1H3
InChIKeyNAWCBIHRHDNACI-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.33
Rot. Bonds3

About 1-ethylsulfonyl-3-phenylpyrazol-5-amine

1-ethylsulfonyl-3-phenylpyrazol-5-amine (PubChem CID 5307362) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-phenylpyrazol-5-amine
PubChem CID5307362
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-ethylsulfonyl-3-phenylpyrazol-5-amine
SMILESCCS(=O)(=O)n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C11H13N3O2S/c1-2-17(15,16)14-11(12)8-10(13-14)9-6-4-3-5-7-9/h3-8H,2,12H2,1H3
InChIKeyNAWCBIHRHDNACI-UHFFFAOYSA-N
XLogP1.33
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-5-phenylpyrazole
CID 136655
1-(Benzenesulfonyl)-3-(4-chlorophenyl)pyrazol-5-amine
CID 9551531
1-(Benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine
CID 5308599
3-(4-Bromophenyl)-1-propylsulfonylpyrazol-5-amine
CID 5309813
(E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole
CID 5389252
1-[(4-fluorophenyl)sulfonyl]-3-phenyl-1H-pyrazol-5-amine
CID 9550503
1-(benzylsulfonyl)-3,5-dimethyl-1H-pyrazole
CID 658313
3-Methyl-1-tosyl-1H-pyrazol-5-amine
CID 1253444
3-(4-Methylphenyl)-1-propylsulfonylpyrazol-5-amine
CID 9550092
3-Phenyl-1-propylsulfonylpyrazol-5-amine
CID 9551532
1-(4-Bromobenzenesulfonyl)-3-phenyl-1H-pyrazol-5-amine
CID 9551546
N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 3778663

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-phenylpyrazol-5-amine?
The IUPAC name of 1-ethylsulfonyl-3-phenylpyrazol-5-amine (CID 5307362) is 1-ethylsulfonyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-ethylsulfonyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-ethylsulfonyl-3-phenylpyrazol-5-amine is CCS(=O)(=O)n1nc(-c2ccccc2)cc1N.
What is the InChIKey of 1-ethylsulfonyl-3-phenylpyrazol-5-amine?
The InChIKey is NAWCBIHRHDNACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-17(15,16)14-11(12)8-10(13-14)9-6-4-3-5-7-9/h3-8H,2,12H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-phenylpyrazol-5-amine?
1-ethylsulfonyl-3-phenylpyrazol-5-amine has a molecular weight of 251.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 5307362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).