1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine

C17H24N4O3S — CID 119978577

IUPAC1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2cnn(-c3ccccc3OC)c2)CC1
InChIInChI=1S/C17H24N4O3S/c1-18-11-14-7-9-20(10-8-14)25(22,23)15-12-19-21(13-15)16-5-3-4-6-17(16)24-2/h3-6,12-14,18H,7-11H2,1-2H3
InChIKeyVAXGWBUWKRCPFE-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.50
Rot. Bonds6

About 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine

1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 119978577) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
PubChem CID119978577
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2cnn(-c3ccccc3OC)c2)CC1
InChIInChI=1S/C17H24N4O3S/c1-18-11-14-7-9-20(10-8-14)25(22,23)15-12-19-21(13-15)16-5-3-4-6-17(16)24-2/h3-6,12-14,18H,7-11H2,1-2H3
InChIKeyVAXGWBUWKRCPFE-UHFFFAOYSA-N
XLogP1.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-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

Related Compounds

N-(cyclopropylmethyl)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987935
1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119959400
(3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine
CID 124619163
(3S,4R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766954
N-methyl-1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 55167900
N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987915
1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119977433
N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride
CID 120585040
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980335
1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
CID 119994189
1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole
CID 91919967
1-[1-(8-methoxyquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 154864069

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine (CID 119978577) is 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)c2cnn(-c3ccccc3OC)c2)CC1.
What is the InChIKey of 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is VAXGWBUWKRCPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-18-11-14-7-9-20(10-8-14)25(22,23)15-12-19-21(13-15)16-5-3-4-6-17(16)24-2/h3-6,12-14,18H,7-11H2,1-2H3.
What are the key properties of 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine?
1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 364.47 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 119978577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).