4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine

C11H11N3O4S — CID 117451305

IUPAC4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
SMILESCS(=O)(=O)c1c(-c2cn[nH]c2N)ccc2c1OCO2
InChIInChI=1S/C11H11N3O4S/c1-19(15,16)10-6(7-4-13-14-11(7)12)2-3-8-9(10)18-5-17-8/h2-4H,5H2,1H3,(H3,12,13,14)
InChIKeyRCGNWBRKKQJTGF-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.79
Rot. Bonds2

About 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine

4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine (PubChem CID 117451305) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
PubChem CID117451305
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
SMILESCS(=O)(=O)c1c(-c2cn[nH]c2N)ccc2c1OCO2
InChIInChI=1S/C11H11N3O4S/c1-19(15,16)10-6(7-4-13-14-11(7)12)2-3-8-9(10)18-5-17-8/h2-4H,5H2,1H3,(H3,12,13,14)
InChIKeyRCGNWBRKKQJTGF-UHFFFAOYSA-N
XLogP0.79
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117337608
4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1,2-oxazol-5-amine
CID 117453434
5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol
CID 117311798
4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117347951
1-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117396524
4-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazol-5-amine
CID 117401942
4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117418417
3-amino-1-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propan-1-one
CID 117430859
4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
CID 117476939
4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117380453
2-hydroxy-2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)acetic acid
CID 117437922
1-[2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117497687

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine (CID 117451305) is 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine is CS(=O)(=O)c1c(-c2cn[nH]c2N)ccc2c1OCO2.
What is the InChIKey of 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
The InChIKey is RCGNWBRKKQJTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-19(15,16)10-6(7-4-13-14-11(7)12)2-3-8-9(10)18-5-17-8/h2-4H,5H2,1H3,(H3,12,13,14).
What are the key properties of 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine has a molecular weight of 281.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117451305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).