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

C22H24ClN3O — CID 110533589

IUPAC3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCc2[nH]nc(-c3ccc(OCc4ccccc4)c(Cl)c3)c2C1
InChIInChI=1S/C22H24ClN3O/c1-2-11-26-12-10-20-18(14-26)22(25-24-20)17-8-9-21(19(23)13-17)27-15-16-6-4-3-5-7-16/h3-9,13H,2,10-12,14-15H2,1H3,(H,24,25)
InChIKeyGLLJXGQZUPVJQM-UHFFFAOYSA-N
MW381.91 g/mol
LogP5.08
Rot. Bonds6

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

3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110533589) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110533589
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCc2[nH]nc(-c3ccc(OCc4ccccc4)c(Cl)c3)c2C1
InChIInChI=1S/C22H24ClN3O/c1-2-11-26-12-10-20-18(14-26)22(25-24-20)17-8-9-21(19(23)13-17)27-15-16-6-4-3-5-7-16/h3-9,13H,2,10-12,14-15H2,1H3,(H,24,25)
InChIKeyGLLJXGQZUPVJQM-UHFFFAOYSA-N
XLogP5.08
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534516
3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536007
3-(3,4-dichlorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538129
3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534816
3-(3,5-dichloro-4-methoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536510
3-(4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539266
5-benzyl-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110532576
3-(4-ethoxy-3-nitrophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537099
3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110530271
3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538604
2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 136781654
3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537126

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110533589) is 3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCN1CCc2[nH]nc(-c3ccc(OCc4ccccc4)c(Cl)c3)c2C1.
What is the InChIKey of 3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is GLLJXGQZUPVJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-2-11-26-12-10-20-18(14-26)22(25-24-20)17-8-9-21(19(23)13-17)27-15-16-6-4-3-5-7-16/h3-9,13H,2,10-12,14-15H2,1H3,(H,24,25).
What are the key properties of 3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 381.91 g/mol, XLogP of 5.08, 6 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-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110533589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).