3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

C14H17Cl2N3 — CID 110538691

IUPAC3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCC2=NNC(c3cccc(Cl)c3Cl)C2C1
InChIInChI=1S/C14H17Cl2N3/c1-2-19-7-6-12-10(8-19)14(18-17-12)9-4-3-5-11(15)13(9)16/h3-5,10,14,18H,2,6-8H2,1H3
InChIKeyJURZOFAWQOINBR-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.34
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (PubChem CID 110538691) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
PubChem CID110538691
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCC2=NNC(c3cccc(Cl)c3Cl)C2C1
InChIInChI=1S/C14H17Cl2N3/c1-2-19-7-6-12-10(8-19)14(18-17-12)9-4-3-5-11(15)13(9)16/h3-5,10,14,18H,2,6-8H2,1H3
InChIKeyJURZOFAWQOINBR-UHFFFAOYSA-N
XLogP3.34
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (CID 110538691) is 3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is CCN1CCC2=NNC(c3cccc(Cl)c3Cl)C2C1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The InChIKey is JURZOFAWQOINBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-2-19-7-6-12-10(8-19)14(18-17-12)9-4-3-5-11(15)13(9)16/h3-5,10,14,18H,2,6-8H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine has a molecular weight of 298.22 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110538691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).