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

C14H17FN4O2S — CID 53185501

IUPAC3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C14H17FN4O2S/c1-18(2)22(20,21)19-8-7-13-12(9-19)14(17-16-13)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKeyPMXQNANWORRABG-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.38
Rot. Bonds3

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

3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (PubChem CID 53185501) has the molecular formula C14H17FN4O2S and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
PubChem CID53185501
Molecular FormulaC14H17FN4O2S
Molecular Weight324.38 g/mol
Exact Mass324.11
IUPAC Name3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C14H17FN4O2S/c1-18(2)22(20,21)19-8-7-13-12(9-19)14(17-16-13)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKeyPMXQNANWORRABG-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The IUPAC name of 3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (CID 53185501) is 3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The canonical SMILES for 3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is CN(C)S(=O)(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The InChIKey is PMXQNANWORRABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2S/c1-18(2)22(20,21)19-8-7-13-12(9-19)14(17-16-13)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
3-(4-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-(4-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is sourced from PubChem (CID 53185501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).