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

C14H18ClN3 — CID 110539933

IUPAC3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCC2=NNC(c3cccc(Cl)c3)C2C1
InChIInChI=1S/C14H18ClN3/c1-2-18-7-6-13-12(9-18)14(17-16-13)10-4-3-5-11(15)8-10/h3-5,8,12,14,17H,2,6-7,9H2,1H3
InChIKeyPMNXBAAIVYFWPT-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.68
Rot. Bonds2

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

3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (PubChem CID 110539933) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
PubChem CID110539933
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCC2=NNC(c3cccc(Cl)c3)C2C1
InChIInChI=1S/C14H18ClN3/c1-2-18-7-6-13-12(9-18)14(17-16-13)10-4-3-5-11(15)8-10/h3-5,8,12,14,17H,2,6-7,9H2,1H3
InChIKeyPMNXBAAIVYFWPT-UHFFFAOYSA-N
XLogP2.68
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (CID 110539933) is 3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is CCN1CCC2=NNC(c3cccc(Cl)c3)C2C1.
What is the InChIKey of 3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The InChIKey is PMNXBAAIVYFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-2-18-7-6-13-12(9-18)14(17-16-13)10-4-3-5-11(15)8-10/h3-5,8,12,14,17H,2,6-7,9H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine has a molecular weight of 263.77 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110539933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).