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

C22H25N3O — CID 110536007

IUPAC3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCc2[nH]nc(-c3cccc(OCc4ccccc4)c3)c2C1
InChIInChI=1S/C22H25N3O/c1-2-12-25-13-11-21-20(15-25)22(24-23-21)18-9-6-10-19(14-18)26-16-17-7-4-3-5-8-17/h3-10,14H,2,11-13,15-16H2,1H3,(H,23,24)
InChIKeyYAVOWWJMWAWNBY-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.42
Rot. Bonds6

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

3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110536007) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110536007
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1CCc2[nH]nc(-c3cccc(OCc4ccccc4)c3)c2C1
InChIInChI=1S/C22H25N3O/c1-2-12-25-13-11-21-20(15-25)22(24-23-21)18-9-6-10-19(14-18)26-16-17-7-4-3-5-8-17/h3-10,14H,2,11-13,15-16H2,1H3,(H,23,24)
InChIKeyYAVOWWJMWAWNBY-UHFFFAOYSA-N
XLogP4.42
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110533589
5-benzyl-3-(3-propan-2-yloxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536008
3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534516
3-(4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539266
3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534816
2,6-dibromo-4-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 136781654
3-(4-ethoxy-3-nitrophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537099
5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539744
3-ethyl-5-(3-phenylmethoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530166
5-benzyl-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110532576
5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536009
3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535893

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110536007) is 3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCN1CCc2[nH]nc(-c3cccc(OCc4ccccc4)c3)c2C1.
What is the InChIKey of 3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is YAVOWWJMWAWNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-12-25-13-11-21-20(15-25)22(24-23-21)18-9-6-10-19(14-18)26-16-17-7-4-3-5-8-17/h3-10,14H,2,11-13,15-16H2,1H3,(H,23,24).
What are the key properties of 3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 347.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110536007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).