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

C15H17Cl2N3 — CID 110538129

IUPAC3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2C1
InChIInChI=1S/C15H17Cl2N3/c1-2-6-20-7-5-14-11(9-20)15(19-18-14)10-3-4-12(16)13(17)8-10/h3-4,8H,2,5-7,9H2,1H3,(H,18,19)
InChIKeyPHLNWQDFPIFBHS-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.15
Rot. Bonds3

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

3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110538129) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110538129
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2C1
InChIInChI=1S/C15H17Cl2N3/c1-2-6-20-7-5-14-11(9-20)15(19-18-14)10-3-4-12(16)13(17)8-10/h3-4,8H,2,5-7,9H2,1H3,(H,18,19)
InChIKeyPHLNWQDFPIFBHS-UHFFFAOYSA-N
XLogP4.15
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110538129) is 3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCN1CCc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is PHLNWQDFPIFBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-2-6-20-7-5-14-11(9-20)15(19-18-14)10-3-4-12(16)13(17)8-10/h3-4,8H,2,5-7,9H2,1H3,(H,18,19).
What are the key properties of 3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 310.23 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110538129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).