3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

C18H25Cl2N3O — CID 110534342

IUPAC3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCC2=NNC(c3cc(Cl)c(OC(C)C)c(Cl)c3)C2C1
InChIInChI=1S/C18H25Cl2N3O/c1-4-6-23-7-5-16-13(10-23)17(22-21-16)12-8-14(19)18(15(20)9-12)24-11(2)3/h8-9,11,13,17,22H,4-7,10H2,1-3H3
InChIKeyGDBIXNPARVWTFS-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.51
Rot. Bonds5

About 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (PubChem CID 110534342) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
PubChem CID110534342
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCC2=NNC(c3cc(Cl)c(OC(C)C)c(Cl)c3)C2C1
InChIInChI=1S/C18H25Cl2N3O/c1-4-6-23-7-5-16-13(10-23)17(22-21-16)12-8-14(19)18(15(20)9-12)24-11(2)3/h8-9,11,13,17,22H,4-7,10H2,1-3H3
InChIKeyGDBIXNPARVWTFS-UHFFFAOYSA-N
XLogP4.51
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.51
H-Bond Donors ≤ 51
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)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (CID 110534342) is 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is CCCN1CCC2=NNC(c3cc(Cl)c(OC(C)C)c(Cl)c3)C2C1.
What is the InChIKey of 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The InChIKey is GDBIXNPARVWTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O/c1-4-6-23-7-5-16-13(10-23)17(22-21-16)12-8-14(19)18(15(20)9-12)24-11(2)3/h8-9,11,13,17,22H,4-7,10H2,1-3H3.
What are the key properties of 3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine has a molecular weight of 370.32 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 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)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110534342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).