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

C15H16ClN3O4S — CID 59342363

IUPACethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)[C@@H]1Cc2[nH]ncc2CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O4S/c1-2-23-15(20)14-7-13-10(8-17-18-13)9-19(14)24(21,22)12-5-3-11(16)4-6-12/h3-6,8,14H,2,7,9H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyFGTCQDBLQPQPQE-AWEZNQCLSA-N
MW369.83 g/mol
LogP1.74
Rot. Bonds4

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

ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate (PubChem CID 59342363) has the molecular formula C15H16ClN3O4S and a molecular weight of 369.83 g/mol. Its IUPAC name is ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate
PubChem CID59342363
Molecular FormulaC15H16ClN3O4S
Molecular Weight369.83 g/mol
Exact Mass369.06
IUPAC Nameethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)[C@@H]1Cc2[nH]ncc2CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O4S/c1-2-23-15(20)14-7-13-10(8-17-18-13)9-19(14)24(21,22)12-5-3-11(16)4-6-12/h3-6,8,14H,2,7,9H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyFGTCQDBLQPQPQE-AWEZNQCLSA-N
XLogP1.74
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate (CID 59342363) is ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate is CCOC(=O)[C@@H]1Cc2[nH]ncc2CN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate?
The InChIKey is FGTCQDBLQPQPQE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16ClN3O4S/c1-2-23-15(20)14-7-13-10(8-17-18-13)9-19(14)24(21,22)12-5-3-11(16)4-6-12/h3-6,8,14H,2,7,9H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate?
ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate has a molecular weight of 369.83 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 59342363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).