N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide

C16H21N5O3S — CID 32504396

IUPACN,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C16H21N5O3S/c1-19(2)25(23,24)21-10-8-20(9-11-21)16(22)15-12-14(17-18-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,18)
InChIKeyGOQRZYBJQPGUPX-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.64
Rot. Bonds4

About N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide (PubChem CID 32504396) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide
PubChem CID32504396
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C16H21N5O3S/c1-19(2)25(23,24)21-10-8-20(9-11-21)16(22)15-12-14(17-18-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,18)
InChIKeyGOQRZYBJQPGUPX-UHFFFAOYSA-N
XLogP0.64
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-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-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
US10022354, Example 5
CID 121279569
US10022354, Example 183
CID 121279732
phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
3-(4-fluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 145970598
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
5-cyclopropyl-N-(1-phenylpropylideneamino)-1H-pyrazole-3-carboxamide
CID 9616968
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
CID 8889263
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
1H-Indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 10062433
1-(4-Fluorophenyl)-2-[4-(5-methyl-2H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811418

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide (CID 32504396) is N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide?
The InChIKey is GOQRZYBJQPGUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-19(2)25(23,24)21-10-8-20(9-11-21)16(22)15-12-14(17-18-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,18).
What are the key properties of N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide has a molecular weight of 363.44 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 32504396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).