1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine

C17H17N3O2S — CID 118728093

IUPAC1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H17N3O2S/c1-18-13-14-12-17(20(19-14)15-8-4-2-5-9-15)23(21,22)16-10-6-3-7-11-16/h2-12,18H,13H2,1H3
InChIKeyLSNWTAQWJOEDIO-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.42
Rot. Bonds5

About 1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine

1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine (PubChem CID 118728093) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine
PubChem CID118728093
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H17N3O2S/c1-18-13-14-12-17(20(19-14)15-8-4-2-5-9-15)23(21,22)16-10-6-3-7-11-16/h2-12,18H,13H2,1H3
InChIKeyLSNWTAQWJOEDIO-UHFFFAOYSA-N
XLogP2.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.42
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-phenylpyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine (CID 118728093) is 1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine is CNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine?
The InChIKey is LSNWTAQWJOEDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-18-13-14-12-17(20(19-14)15-8-4-2-5-9-15)23(21,22)16-10-6-3-7-11-16/h2-12,18H,13H2,1H3.
What are the key properties of 1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine?
1-[5-(benzenesulfonyl)-1-phenylpyrazol-3-yl]-N-methylmethanamine has a molecular weight of 327.41 g/mol, XLogP of 2.42, 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-phenylpyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 118728093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).