3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C15H17Cl2N3O — CID 110537326

IUPAC3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCCCOc1c(Cl)cc(-c2n[nH]c3c2CNCC3)cc1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-2-5-21-15-11(16)6-9(7-12(15)17)14-10-8-18-4-3-13(10)19-20-14/h6-7,18H,2-5,8H2,1H3,(H,19,20)
InChIKeyPHKJUZVCGJDOEE-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.82
Rot. Bonds4

About 3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 110537326) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID110537326
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCCCOc1c(Cl)cc(-c2n[nH]c3c2CNCC3)cc1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-2-5-21-15-11(16)6-9(7-12(15)17)14-10-8-18-4-3-13(10)19-20-14/h6-7,18H,2-5,8H2,1H3,(H,19,20)
InChIKeyPHKJUZVCGJDOEE-UHFFFAOYSA-N
XLogP3.82
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 110537326) is 3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is CCCOc1c(Cl)cc(-c2n[nH]c3c2CNCC3)cc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is PHKJUZVCGJDOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-2-5-21-15-11(16)6-9(7-12(15)17)14-10-8-18-4-3-13(10)19-20-14/h6-7,18H,2-5,8H2,1H3,(H,19,20).
What are the key properties of 3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 326.23 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-propoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110537326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).