3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H18ClN3O2S — CID 108780212

IUPAC3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCc3[nH]nc(-c4cccc(Cl)c4)c3C2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-13-5-7-16(8-6-13)26(24,25)23-10-9-18-17(12-23)19(22-21-18)14-3-2-4-15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,21,22)
InChIKeyCDJPSCLUBVJEDD-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.79
Rot. Bonds3

About 3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 108780212) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID108780212
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCc3[nH]nc(-c4cccc(Cl)c4)c3C2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-13-5-7-16(8-6-13)26(24,25)23-10-9-18-17(12-23)19(22-21-18)14-3-2-4-15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,21,22)
InChIKeyCDJPSCLUBVJEDD-UHFFFAOYSA-N
XLogP3.79
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-5-(2,4-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780218
3-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780222
3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780213
3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780248
ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108725868
(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750013
2,2,2-trichloro-1-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 108725831
5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole
CID 31053623
3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 53185499
4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108750075
[2-chloro-5-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenyl]methanamine
CID 68909457
N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
CID 30852918

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 108780212) is 3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cc1ccc(S(=O)(=O)N2CCc3[nH]nc(-c4cccc(Cl)c4)c3C2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is CDJPSCLUBVJEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-13-5-7-16(8-6-13)26(24,25)23-10-9-18-17(12-23)19(22-21-18)14-3-2-4-15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,21,22).
What are the key properties of 3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 387.89 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 108780212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).