3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C17H23N3O2 — CID 110538538

IUPAC3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCOc1cc(-c2n[nH]c3c2CN(C)CC3)ccc1OC
InChIInChI=1S/C17H23N3O2/c1-4-9-22-16-10-12(5-6-15(16)21-3)17-13-11-20(2)8-7-14(13)18-19-17/h5-6,10H,4,7-9,11H2,1-3H3,(H,18,19)
InChIKeyFBAKONXVRREZOX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.86
Rot. Bonds5

About 3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110538538) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110538538
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCOc1cc(-c2n[nH]c3c2CN(C)CC3)ccc1OC
InChIInChI=1S/C17H23N3O2/c1-4-9-22-16-10-12(5-6-15(16)21-3)17-13-11-20(2)8-7-14(13)18-19-17/h5-6,10H,4,7-9,11H2,1-3H3,(H,18,19)
InChIKeyFBAKONXVRREZOX-UHFFFAOYSA-N
XLogP2.86
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536275
3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537126
5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539764
3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535708
5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol
CID 110539705
3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534816
3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110530271
4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 110540115
5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536009
3-(4-ethoxy-3-nitrophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537099
5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585641
3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534835

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110538538) is 3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCOc1cc(-c2n[nH]c3c2CN(C)CC3)ccc1OC.
What is the InChIKey of 3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is FBAKONXVRREZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-9-22-16-10-12(5-6-15(16)21-3)17-13-11-20(2)8-7-14(13)18-19-17/h5-6,10H,4,7-9,11H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 301.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110538538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).