1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine

C17H16FN3O2S — CID 68747150

IUPAC1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2F)n1
InChIInChI=1S/C17H16FN3O2S/c1-19-12-13-11-17(24(22,23)14-7-3-2-4-8-14)21(20-13)16-10-6-5-9-15(16)18/h2-11,19H,12H2,1H3
InChIKeyZBMOZKNRMSFEKH-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.56
Rot. Bonds5

About 1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine

1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine (PubChem CID 68747150) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
PubChem CID68747150
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2F)n1
InChIInChI=1S/C17H16FN3O2S/c1-19-12-13-11-17(24(22,23)14-7-3-2-4-8-14)21(20-13)16-10-6-5-9-15(16)18/h2-11,19H,12H2,1H3
InChIKeyZBMOZKNRMSFEKH-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine (CID 68747150) is 1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2F)n1.
What is the InChIKey of 1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is ZBMOZKNRMSFEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-19-12-13-11-17(24(22,23)14-7-3-2-4-8-14)21(20-13)16-10-6-5-9-15(16)18/h2-11,19H,12H2,1H3.
What are the key properties of 1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 345.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonyl)-1-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 68747150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).