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

C19H18ClN3O2S — CID 16730390

IUPAC6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2CC1Cc1ccccc1
InChIInChI=1S/C19H18ClN3O2S/c20-16-6-8-18(9-7-16)26(24,25)23-13-15-12-21-22-19(15)11-17(23)10-14-4-2-1-3-5-14/h1-9,12,17H,10-11,13H2,(H,21,22)
InChIKeyNLFUWFNEKPIFHZ-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.42
Rot. Bonds4

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

6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 16730390) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID16730390
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2CC1Cc1ccccc1
InChIInChI=1S/C19H18ClN3O2S/c20-16-6-8-18(9-7-16)26(24,25)23-13-15-12-21-22-19(15)11-17(23)10-14-4-2-1-3-5-14/h1-9,12,17H,10-11,13H2,(H,21,22)
InChIKeyNLFUWFNEKPIFHZ-UHFFFAOYSA-N
XLogP3.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Chlorophenylsulfonyl)-4-ethyl-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864705
5-(4-Chlorophenyl)sulfonyl-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864711
5-(4-Chlorophenyl)sulfonyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24864885
5-(4-Chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864886
12-(4-Chlorophenyl)sulfonyl-10-ethynyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 45279238
10-[(E)-2-chloroethenyl]-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 45279506
(4R)-5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485492
12-(4-Chlorophenyl)sulfonyl-10-prop-1-ynyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 45487093
CID 45487146
CID 45487146
(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46236732
(4S,6R)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891411
(4R,6S)-5-(4-chlorophenylsulfonyl)-4,6-diethyl-5,6-dihydro-1H-pyrazolo[4,3-c]pyridin-7(4H)-one
CID 46891412

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 16730390) is 6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is O=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2CC1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is NLFUWFNEKPIFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-16-6-8-18(9-7-16)26(24,25)23-13-15-12-21-22-19(15)11-17(23)10-14-4-2-1-3-5-14/h1-9,12,17H,10-11,13H2,(H,21,22).
What are the key properties of 6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 387.89 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 16730390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).