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

C13H14ClN3O2S — CID 167782497

IUPAC5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)cc2)Cc2cn[nH]c21
InChIInChI=1S/C13H14ClN3O2S/c1-9-7-17(8-10-6-15-16-13(9)10)20(18,19)12-4-2-11(14)3-5-12/h2-6,9H,7-8H2,1H3,(H,15,16)
InChIKeyLTPGNNFCZKVHTA-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.37
Rot. Bonds2

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

5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 167782497) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID167782497
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)cc2)Cc2cn[nH]c21
InChIInChI=1S/C13H14ClN3O2S/c1-9-7-17(8-10-6-15-16-13(9)10)20(18,19)12-4-2-11(14)3-5-12/h2-6,9H,7-8H2,1H3,(H,15,16)
InChIKeyLTPGNNFCZKVHTA-UHFFFAOYSA-N
XLogP2.37
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline
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[4-(4-chlorophenoxy)-3-fluorophenyl]-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 167848357
1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 167970686
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one
CID 26436355
ethyl (6R)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate
CID 59342366
ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate
CID 59342363
5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110088094
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496065
5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890761

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 167782497) is 5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CC1CN(S(=O)(=O)c2ccc(Cl)cc2)Cc2cn[nH]c21.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is LTPGNNFCZKVHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-7-17(8-10-6-15-16-13(9)10)20(18,19)12-4-2-11(14)3-5-12/h2-6,9H,7-8H2,1H3,(H,15,16).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 311.79 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 167782497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).