[3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine

C10H13N3O3S — CID 165477574

IUPAC[3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine
SMILESCS(=O)(=O)c1cnn(Cc2ccoc2CN)c1
InChIInChI=1S/C10H13N3O3S/c1-17(14,15)9-5-12-13(7-9)6-8-2-3-16-10(8)4-11/h2-3,5,7H,4,6,11H2,1H3
InChIKeyKOONPTMKEOLJTR-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.39
Rot. Bonds4

About [3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine

[3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 165477574) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is [3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine
PubChem CID165477574
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name[3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine
SMILESCS(=O)(=O)c1cnn(Cc2ccoc2CN)c1
InChIInChI=1S/C10H13N3O3S/c1-17(14,15)9-5-12-13(7-9)6-8-2-3-16-10(8)4-11/h2-3,5,7H,4,6,11H2,1H3
InChIKeyKOONPTMKEOLJTR-UHFFFAOYSA-N
XLogP0.39
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine (CID 165477574) is [3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine is CS(=O)(=O)c1cnn(Cc2ccoc2CN)c1.
What is the InChIKey of [3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is KOONPTMKEOLJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-17(14,15)9-5-12-13(7-9)6-8-2-3-16-10(8)4-11/h2-3,5,7H,4,6,11H2,1H3.
What are the key properties of [3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
[3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 255.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylsulfonylpyrazol-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 165477574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).