3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide

C14H17FN4O2S — CID 42196202

IUPAC3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1
InChIInChI=1S/C14H17FN4O2S/c1-18(2)22(20,21)19-8-7-13-11(9-19)14(17-16-13)10-5-3-4-6-12(10)15/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKeyKHQBDQLIORAXOC-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.38
Rot. Bonds3

About 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide

3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (PubChem CID 42196202) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
PubChem CID42196202
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC Name3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1
InChIInChI=1S/C14H17FN4O2S/c1-18(2)22(20,21)19-8-7-13-11(9-19)14(17-16-13)10-5-3-4-6-12(10)15/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKeyKHQBDQLIORAXOC-UHFFFAOYSA-N
XLogP1.38
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-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

3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 16671966
3-phenyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine dihydrochloride
CID 67337450
3-(4-Fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384655
1-(3-(4-Fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one
CID 57076369
3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
CID 7426764
3-(3-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 44383839
1-(3-Phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 7694334
1-Benzyl-4-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 44459463
1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-3-(4-methylphenyl)-,dihydrochloride
CID 76850833
5-Ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 45265533
4-(4,5,6,7-Tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile
CID 25802290
3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28750449

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The IUPAC name of 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (CID 42196202) is 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The canonical SMILES for 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is CN(C)S(=O)(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1.
What is the InChIKey of 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The InChIKey is KHQBDQLIORAXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-18(2)22(20,21)19-8-7-13-11(9-19)14(17-16-13)10-5-3-4-6-12(10)15/h3-6H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide has a molecular weight of 324.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is sourced from PubChem (CID 42196202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).