1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine

C18H18FN3O3S — CID 68749570

IUPAC1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2cccc(OC)c2)n(-c2ccccc2F)n1
InChIInChI=1S/C18H18FN3O3S/c1-20-12-13-10-18(22(21-13)17-9-4-3-8-16(17)19)26(23,24)15-7-5-6-14(11-15)25-2/h3-11,20H,12H2,1-2H3
InChIKeyZVVPAQBISFCZOF-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.57
Rot. Bonds6

About 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine

1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine (PubChem CID 68749570) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine
PubChem CID68749570
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2cccc(OC)c2)n(-c2ccccc2F)n1
InChIInChI=1S/C18H18FN3O3S/c1-20-12-13-10-18(22(21-13)17-9-4-3-8-16(17)19)26(23,24)15-7-5-6-14(11-15)25-2/h3-11,20H,12H2,1-2H3
InChIKeyZVVPAQBISFCZOF-UHFFFAOYSA-N
XLogP2.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine (CID 68749570) is 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine is CNCc1cc(S(=O)(=O)c2cccc(OC)c2)n(-c2ccccc2F)n1.
What is the InChIKey of 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine?
The InChIKey is ZVVPAQBISFCZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-20-12-13-10-18(22(21-13)17-9-4-3-8-16(17)19)26(23,24)15-7-5-6-14(11-15)25-2/h3-11,20H,12H2,1-2H3.
What are the key properties of 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine?
1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine has a molecular weight of 375.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 68749570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).