N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide

C14H17N7O2S — CID 146149191

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1nnn(C)n1
InChIInChI=1S/C14H17N7O2S/c1-19(24(22,23)14-16-18-20(2)17-14)9-13-8-15-21(11-13)10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3
InChIKeyNGOXFGFAZBBCOR-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.28
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide

N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide (PubChem CID 146149191) has the molecular formula C14H17N7O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide
PubChem CID146149191
Molecular FormulaC14H17N7O2S
Molecular Weight347.40 g/mol
Exact Mass347.12
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1nnn(C)n1
InChIInChI=1S/C14H17N7O2S/c1-19(24(22,23)14-16-18-20(2)17-14)9-13-8-15-21(11-13)10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3
InChIKeyNGOXFGFAZBBCOR-UHFFFAOYSA-N
XLogP0.28
TPSA98.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-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-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide
CID 31080299
N-[(1-benzylpyrazol-4-yl)methyl]-4-bromo-N,3-dimethylbenzenesulfonamide
CID 26545286
N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 39626127
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 31798887
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine
CID 26449466
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 24587808
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide
CID 31798884

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide (CID 146149191) is N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide is CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1nnn(C)n1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide?
The InChIKey is NGOXFGFAZBBCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2S/c1-19(24(22,23)14-16-18-20(2)17-14)9-13-8-15-21(11-13)10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide is sourced from PubChem (CID 146149191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).