3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C21H22ClN3O — CID 110534516

IUPAC3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCc2[nH]nc(-c3ccc(OCc4ccccc4)c(Cl)c3)c2C1
InChIInChI=1S/C21H22ClN3O/c1-2-25-11-10-19-17(13-25)21(24-23-19)16-8-9-20(18(22)12-16)26-14-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,23,24)
InChIKeyAJHRCHNKULWZEM-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.69
Rot. Bonds5

About 3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110534516) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110534516
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCc2[nH]nc(-c3ccc(OCc4ccccc4)c(Cl)c3)c2C1
InChIInChI=1S/C21H22ClN3O/c1-2-25-11-10-19-17(13-25)21(24-23-19)16-8-9-20(18(22)12-16)26-14-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,23,24)
InChIKeyAJHRCHNKULWZEM-UHFFFAOYSA-N
XLogP4.69
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110534516) is 3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCN1CCc2[nH]nc(-c3ccc(OCc4ccccc4)c(Cl)c3)c2C1.
What is the InChIKey of 3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is AJHRCHNKULWZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-2-25-11-10-19-17(13-25)21(24-23-19)16-8-9-20(18(22)12-16)26-14-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,23,24).
What are the key properties of 3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 367.88 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110534516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).