3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C16H21N3O — CID 82588360

IUPAC3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(CCc2nn(C)c3c2CNCC3)cc1
InChIInChI=1S/C16H21N3O/c1-19-16-9-10-17-11-14(16)15(18-19)8-5-12-3-6-13(20-2)7-4-12/h3-4,6-7,17H,5,8-11H2,1-2H3
InChIKeyMWUIJAOTTAWBSM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.86
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82588360) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82588360
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(CCc2nn(C)c3c2CNCC3)cc1
InChIInChI=1S/C16H21N3O/c1-19-16-9-10-17-11-14(16)15(18-19)8-5-12-3-6-13(20-2)7-4-12/h3-4,6-7,17H,5,8-11H2,1-2H3
InChIKeyMWUIJAOTTAWBSM-UHFFFAOYSA-N
XLogP1.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82588157
4-ethyl-5-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazol-3-amine
CID 43670771
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
CID 71808370
3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole
CID 155131154
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid
CID 110458496
1-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4240137
3-methoxy-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83845943
2-[(4-methoxyphenyl)methyl]-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741105
1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792807
1-methyl-3-(1-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 70967701
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82588360) is 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1ccc(CCc2nn(C)c3c2CNCC3)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is MWUIJAOTTAWBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-16-9-10-17-11-14(16)15(18-19)8-5-12-3-6-13(20-2)7-4-12/h3-4,6-7,17H,5,8-11H2,1-2H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 271.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82588360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).