N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

C13H19N5O2S — CID 106073945

IUPACN-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C13H19N5O2S/c1-14-8-10-9-15-16-13(10)21(19,20)17-11-5-4-6-12(7-11)18(2)3/h4-7,9,14,17H,8H2,1-3H3,(H,15,16)
InChIKeyRCSHYONTCCRRLY-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.00
Rot. Bonds6

About N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106073945) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106073945
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C13H19N5O2S/c1-14-8-10-9-15-16-13(10)21(19,20)17-11-5-4-6-12(7-11)18(2)3/h4-7,9,14,17H,8H2,1-3H3,(H,15,16)
InChIKeyRCSHYONTCCRRLY-UHFFFAOYSA-N
XLogP1.00
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-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

4-[4-[3-(1H-pyrazol-4-yl)propyl]piperazin-1-yl]benzenesulfonamide
CID 72115566
N-Cyclopentyl-N-methyl-4-[3-(1H-pyrazol-4-ylmethyl)-ureido]-benzenesulfonamide
CID 135231290
2-(4-Fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
CID 162399981
2-(4-Fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
CID 162400104
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 75478279
2-Phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
CID 162399982
3-Methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
CID 162400105
N-[2-fluoro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43731877
N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 47372697
N-(4-fluorophenyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 47372775
N-(2-fluorophenyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 51096190
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106073945) is N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is RCSHYONTCCRRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-14-8-10-9-15-16-13(10)21(19,20)17-11-5-4-6-12(7-11)18(2)3/h4-7,9,14,17H,8H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106073945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).