1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine

C9H11N3O3S — CID 66929437

IUPAC1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine
SMILESCS(=O)(=O)c1ccc(Cn2cc(N)cn2)o1
InChIInChI=1S/C9H11N3O3S/c1-16(13,14)9-3-2-8(15-9)6-12-5-7(10)4-11-12/h2-5H,6,10H2,1H3
InChIKeyWSTPSQSROBHLNN-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.51
Rot. Bonds3

About 1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine

1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine (PubChem CID 66929437) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine
PubChem CID66929437
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine
SMILESCS(=O)(=O)c1ccc(Cn2cc(N)cn2)o1
InChIInChI=1S/C9H11N3O3S/c1-16(13,14)9-3-2-8(15-9)6-12-5-7(10)4-11-12/h2-5H,6,10H2,1H3
InChIKeyWSTPSQSROBHLNN-UHFFFAOYSA-N
XLogP0.51
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine (CID 66929437) is 1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine is CS(=O)(=O)c1ccc(Cn2cc(N)cn2)o1.
What is the InChIKey of 1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine?
The InChIKey is WSTPSQSROBHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-16(13,14)9-3-2-8(15-9)6-12-5-7(10)4-11-12/h2-5H,6,10H2,1H3.
What are the key properties of 1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine?
1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine has a molecular weight of 241.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylsulfonylfuran-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 66929437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).