3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine

C15H19Cl2N3O — CID 110537209

IUPAC3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
SMILESCC(C)Oc1c(Cl)cc(C2NN=C3CCNCC32)cc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-8(2)21-15-11(16)5-9(6-12(15)17)14-10-7-18-4-3-13(10)19-20-14/h5-6,8,10,14,18,20H,3-4,7H2,1-2H3
InChIKeyHRNNDBYALBWMCK-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.39
Rot. Bonds3

About 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine

3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine (PubChem CID 110537209) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
PubChem CID110537209
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
SMILESCC(C)Oc1c(Cl)cc(C2NN=C3CCNCC32)cc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-8(2)21-15-11(16)5-9(6-12(15)17)14-10-7-18-4-3-13(10)19-20-14/h5-6,8,10,14,18,20H,3-4,7H2,1-2H3
InChIKeyHRNNDBYALBWMCK-UHFFFAOYSA-N
XLogP3.39
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine (CID 110537209) is 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine is CC(C)Oc1c(Cl)cc(C2NN=C3CCNCC32)cc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is HRNNDBYALBWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-8(2)21-15-11(16)5-9(6-12(15)17)14-10-7-18-4-3-13(10)19-20-14/h5-6,8,10,14,18,20H,3-4,7H2,1-2H3.
What are the key properties of 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 328.24 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110537209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).