N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H17N3O3S — CID 3636246

IUPACN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)16-15-9)20(17,18)14-8-11-5-4-6-12(7-11)19-3/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyHJHDUOMQZANZSG-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.51
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 3636246) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID3636246
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)16-15-9)20(17,18)14-8-11-5-4-6-12(7-11)19-3/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyHJHDUOMQZANZSG-UHFFFAOYSA-N
XLogP1.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide 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-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3237955
N-[2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 11179627
N-[2-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56670054
N-[2-[3-(3-methoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56676896
8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(3-methylphenoxy)-8-azabicyclo[3.2.1]octane
CID 141659809
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methoxybenzyl)piperidine-3-carboxamide
CID 3237645
N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56663202
N-[2-[5-(2-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56666642
1-(2,4-Difluorobenzenesulfonyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-YL]piperidine
CID 53165435
1-(3,5-Dimethyl-1H-pyrazol-4-ylsulfonyl)-4-(2-methylphenoxy)piperidine
CID 46981207
N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 118120979
1-[(2-methoxy-4-methylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 801460

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 3636246) is N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COc1cccc(CNS(=O)(=O)c2c(C)n[nH]c2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is HJHDUOMQZANZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-13(10(2)16-15-9)20(17,18)14-8-11-5-4-6-12(7-11)19-3/h4-7,14H,8H2,1-3H3,(H,15,16).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 3636246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).