3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C16H19Cl2N3O — CID 110536510

IUPAC3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCc2[nH]nc(-c3cc(Cl)c(OC)c(Cl)c3)c2C1
InChIInChI=1S/C16H19Cl2N3O/c1-3-5-21-6-4-14-11(9-21)15(20-19-14)10-7-12(17)16(22-2)13(18)8-10/h7-8H,3-6,9H2,1-2H3,(H,19,20)
InChIKeySVZQTVKLWSJTHE-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.16
Rot. Bonds4

About 3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110536510) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110536510
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCc2[nH]nc(-c3cc(Cl)c(OC)c(Cl)c3)c2C1
InChIInChI=1S/C16H19Cl2N3O/c1-3-5-21-6-4-14-11(9-21)15(20-19-14)10-7-12(17)16(22-2)13(18)8-10/h7-8H,3-6,9H2,1-2H3,(H,19,20)
InChIKeySVZQTVKLWSJTHE-UHFFFAOYSA-N
XLogP4.16
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110536510) is 3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCN1CCc2[nH]nc(-c3cc(Cl)c(OC)c(Cl)c3)c2C1.
What is the InChIKey of 3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is SVZQTVKLWSJTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-3-5-21-6-4-14-11(9-21)15(20-19-14)10-7-12(17)16(22-2)13(18)8-10/h7-8H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 340.25 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110536510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).