2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine

C17H22ClN3O — CID 123218003

IUPAC2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
SMILESCCOCCCN1C=C2CN(c3ccccc3Cl)N=C2CC1
InChIInChI=1S/C17H22ClN3O/c1-2-22-11-5-9-20-10-8-16-14(12-20)13-21(19-16)17-7-4-3-6-15(17)18/h3-4,6-7,12H,2,5,8-11,13H2,1H3
InChIKeyLAZKKORIOJYVAE-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.53
Rot. Bonds6

About 2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine

2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine (PubChem CID 123218003) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
PubChem CID123218003
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
SMILESCCOCCCN1C=C2CN(c3ccccc3Cl)N=C2CC1
InChIInChI=1S/C17H22ClN3O/c1-2-22-11-5-9-20-10-8-16-14(12-20)13-21(19-16)17-7-4-3-6-15(17)18/h3-4,6-7,12H,2,5,8-11,13H2,1H3
InChIKeyLAZKKORIOJYVAE-UHFFFAOYSA-N
XLogP3.53
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-5-fluoro-6-methyl-3-(oxan-4-yl)-5H-pyrazolo[3,4-c]pyridine
CID 147321759
(5E)-1-(4-chlorophenyl)-N-ethenyl-5-ethylidene-3-(oxan-4-yl)pyrazol-4-imine
CID 68244206
2-[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]-1-morpholin-4-ylethanone
CID 91390090
4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine
CID 91417338
2-(2-chlorophenyl)-4-(4-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
CID 91589588
2-(2-Chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 102406826
4-(2-Chlorophenyl)-12-oxa-4,5,9-triazatricyclo[7.4.0.02,6]trideca-1(13),5,7-triene
CID 123625747
4-(2-Chlorophenyl)-12-oxa-4,5,9-triazatricyclo[7.4.0.02,6]trideca-1,5,7-triene
CID 123801760
2-(2-chlorophenyl)-5-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine
CID 123919215
(4S)-2-(2-chlorophenyl)-4-[(1R,6R)-6-methoxycyclohex-3-en-1-yl]-5-methyl-3,4-dihydropyrazole
CID 163610725

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine (CID 123218003) is 2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine is CCOCCCN1C=C2CN(c3ccccc3Cl)N=C2CC1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
The InChIKey is LAZKKORIOJYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-2-22-11-5-9-20-10-8-16-14(12-20)13-21(19-16)17-7-4-3-6-15(17)18/h3-4,6-7,12H,2,5,8-11,13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine?
2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine has a molecular weight of 319.84 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(3-ethoxypropyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 123218003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).