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

C14H18N4O2S — CID 30852918

IUPACN,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C14H18N4O2S/c1-17(2)21(19,20)18-9-8-13-12(10-18)14(16-15-13)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16)
InChIKeyJAXHKMUCWQBUJW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.24
Rot. Bonds3

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

N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (PubChem CID 30852918) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
PubChem CID30852918
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C14H18N4O2S/c1-17(2)21(19,20)18-9-8-13-12(10-18)14(16-15-13)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16)
InChIKeyJAXHKMUCWQBUJW-UHFFFAOYSA-N
XLogP1.24
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The IUPAC name of N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (CID 30852918) is N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is CN(C)S(=O)(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The InChIKey is JAXHKMUCWQBUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-17(2)21(19,20)18-9-8-13-12(10-18)14(16-15-13)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16).
What are the key properties of N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is sourced from PubChem (CID 30852918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).