1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride

C19H22ClN3O3S — CID 68750520

IUPAC1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(S(=O)(=O)c2cccc(OC)c2)n(-c2ccccc2C)n1.Cl
InChIInChI=1S/C19H21N3O3S.ClH/c1-14-7-4-5-10-18(14)22-19(11-15(21-22)13-20-2)26(23,24)17-9-6-8-16(12-17)25-3;/h4-12,20H,13H2,1-3H3;1H
InChIKeyWHAHEAMLOCJNLM-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.16
Rot. Bonds6

About 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride

1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 68750520) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID68750520
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(S(=O)(=O)c2cccc(OC)c2)n(-c2ccccc2C)n1.Cl
InChIInChI=1S/C19H21N3O3S.ClH/c1-14-7-4-5-10-18(14)22-19(11-15(21-22)13-20-2)26(23,24)17-9-6-8-16(12-17)25-3;/h4-12,20H,13H2,1-3H3;1H
InChIKeyWHAHEAMLOCJNLM-UHFFFAOYSA-N
XLogP3.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-(benzenesulfonyl)-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 68747712
1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine
CID 25234877
but-2-enedioic acid;1-[1-(2-fluoro-3-methylphenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine
CID 68798950
1-[5-(benzenesulfonyl)-1-(2,6-difluorophenyl)pyrazol-3-yl]-N-methylmethanamine;but-2-enedioic acid
CID 68748460
but-2-enedioic acid;1-[1-(2-chlorophenyl)-5-pyridin-4-ylsulfonylpyrazol-3-yl]-N-methylmethanamine
CID 68924916
[1-[1-(2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-3,3-dimethylbutan-2-yl]carbamic acid;1-[1-(2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 68753024
[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate
CID 42727344
N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide
CID 166314705
[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate
CID 42727348
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
tert-butyl N-[[5-(benzenesulfonyl)-1-(2-methoxy-3-pyridinyl)pyrazol-3-yl]methyl]-N-methylcarbamate
CID 68748546

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride (CID 68750520) is 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride is CNCc1cc(S(=O)(=O)c2cccc(OC)c2)n(-c2ccccc2C)n1.Cl.
What is the InChIKey of 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is WHAHEAMLOCJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S.ClH/c1-14-7-4-5-10-18(14)22-19(11-15(21-22)13-20-2)26(23,24)17-9-6-8-16(12-17)25-3;/h4-12,20H,13H2,1-3H3;1H.
What are the key properties of 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 407.92 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)sulfonyl-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 68750520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).