5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole

C17H18N4O3S — CID 31053623

IUPAC5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole
SMILESCc1cc(C)cc(S(=O)(=O)N2CCc3[nH]nc(-c4ccno4)c3C2)c1
InChIInChI=1S/C17H18N4O3S/c1-11-7-12(2)9-13(8-11)25(22,23)21-6-4-15-14(10-21)17(20-19-15)16-3-5-18-24-16/h3,5,7-9H,4,6,10H2,1-2H3,(H,19,20)
InChIKeyGTPXZLRZITXXAC-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.43
Rot. Bonds3

About 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole

5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole (PubChem CID 31053623) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole
PubChem CID31053623
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole
SMILESCc1cc(C)cc(S(=O)(=O)N2CCc3[nH]nc(-c4ccno4)c3C2)c1
InChIInChI=1S/C17H18N4O3S/c1-11-7-12(2)9-13(8-11)25(22,23)21-6-4-15-14(10-21)17(20-19-15)16-3-5-18-24-16/h3,5,7-9H,4,6,10H2,1-2H3,(H,19,20)
InChIKeyGTPXZLRZITXXAC-UHFFFAOYSA-N
XLogP2.43
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole?
The IUPAC name of 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole (CID 31053623) is 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole is Cc1cc(C)cc(S(=O)(=O)N2CCc3[nH]nc(-c4ccno4)c3C2)c1.
What is the InChIKey of 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole?
The InChIKey is GTPXZLRZITXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-7-12(2)9-13(8-11)25(22,23)21-6-4-15-14(10-21)17(20-19-15)16-3-5-18-24-16/h3,5,7-9H,4,6,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole?
5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole has a molecular weight of 358.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole is sourced from PubChem (CID 31053623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).