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

C16H20ClN3O2S — CID 46236732

IUPAC(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC[C@H]1Cc2[nH]ncc2[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2S/c1-3-12-9-15-14(10-18-19-15)16(4-2)20(12)23(21,22)13-7-5-11(17)6-8-13/h5-8,10,12,16H,3-4,9H2,1-2H3,(H,18,19)/t12-,16+/m0/s1
InChIKeyLBUIKNKQOBTCII-BLLLJJGKSA-N
MW353.88 g/mol
LogP3.54
Rot. Bonds4

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

(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 46236732) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is (4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID46236732
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC[C@H]1Cc2[nH]ncc2[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2S/c1-3-12-9-15-14(10-18-19-15)16(4-2)20(12)23(21,22)13-7-5-11(17)6-8-13/h5-8,10,12,16H,3-4,9H2,1-2H3,(H,18,19)/t12-,16+/m0/s1
InChIKeyLBUIKNKQOBTCII-BLLLJJGKSA-N
XLogP3.54
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of (4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 46236732) is (4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for (4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for (4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CC[C@H]1Cc2[nH]ncc2[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is LBUIKNKQOBTCII-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-3-12-9-15-14(10-18-19-15)16(4-2)20(12)23(21,22)13-7-5-11(17)6-8-13/h5-8,10,12,16H,3-4,9H2,1-2H3,(H,18,19)/t12-,16+/m0/s1.
What are the key properties of (4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 353.88 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 46236732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).