2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride

C14H24ClN3O — CID 155853209

IUPAC2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCOCC1CNCc2cn(CC3CCCC3)nc21.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-18-10-13-7-15-6-12-9-17(16-14(12)13)8-11-4-2-3-5-11;/h9,11,13,15H,2-8,10H2,1H3;1H
InChIKeyMRBOOFDDJUOPCS-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.33
Rot. Bonds4

About 2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride

2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 155853209) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID155853209
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCOCC1CNCc2cn(CC3CCCC3)nc21.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-18-10-13-7-15-6-12-9-17(16-14(12)13)8-11-4-2-3-5-11;/h9,11,13,15H,2-8,10H2,1H3;1H
InChIKeyMRBOOFDDJUOPCS-UHFFFAOYSA-N
XLogP2.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (CID 155853209) is 2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is COCC1CNCc2cn(CC3CCCC3)nc21.Cl.
What is the InChIKey of 2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is MRBOOFDDJUOPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.ClH/c1-18-10-13-7-15-6-12-9-17(16-14(12)13)8-11-4-2-3-5-11;/h9,11,13,15H,2-8,10H2,1H3;1H.
What are the key properties of 2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-7-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 155853209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).