3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

C14H17N3O2S — CID 82586522

IUPAC3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCc1nn(-c2cccc(S(C)(=O)=O)c2)c2c1CNCC2
InChIInChI=1S/C14H17N3O2S/c1-10-13-9-15-7-6-14(13)17(16-10)11-4-3-5-12(8-11)20(2,18)19/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyAKPQHSRENLKCMC-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.23
Rot. Bonds2

About 3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 82586522) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID82586522
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCc1nn(-c2cccc(S(C)(=O)=O)c2)c2c1CNCC2
InChIInChI=1S/C14H17N3O2S/c1-10-13-9-15-7-6-14(13)17(16-10)11-4-3-5-12(8-11)20(2,18)19/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyAKPQHSRENLKCMC-UHFFFAOYSA-N
XLogP1.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588718
1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 84647418
1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586524
1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586494
3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline
CID 105485912
3-(3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzonitrile
CID 105481976
5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine
CID 21455575
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586595
1-(2,4-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586496
1-(3-bromophenyl)-3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458962
methyl 3-(3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 82586815
3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587639

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 82586522) is 3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is Cc1nn(-c2cccc(S(C)(=O)=O)c2)c2c1CNCC2.
What is the InChIKey of 3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is AKPQHSRENLKCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-13-9-15-7-6-14(13)17(16-10)11-4-3-5-12(8-11)20(2,18)19/h3-5,8,15H,6-7,9H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 291.38 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 82586522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).