4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline

C16H21N3 — CID 63938796

IUPAC4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1c(C)nn(C2CNCc3ccccc32)c1C
InChIInChI=1S/C16H21N3/c1-4-14-11(2)18-19(12(14)3)16-10-17-9-13-7-5-6-8-15(13)16/h5-8,16-17H,4,9-10H2,1-3H3
InChIKeyBLZHSTFZAODHJK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.75
Rot. Bonds2

About 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63938796) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID63938796
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1c(C)nn(C2CNCc3ccccc32)c1C
InChIInChI=1S/C16H21N3/c1-4-14-11(2)18-19(12(14)3)16-10-17-9-13-7-5-6-8-15(13)16/h5-8,16-17H,4,9-10H2,1-3H3
InChIKeyBLZHSTFZAODHJK-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420132
4-pyrazol-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 54594300
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168642
4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63939942
4-[4-(2-methylpropyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 63938599
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382
4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938389
4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63940134
4-chloro-1,2,3,4-tetrahydroisoquinoline
CID 91517111
4-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 58837525
4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938983
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 63938796) is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline is CCc1c(C)nn(C2CNCc3ccccc32)c1C.
What is the InChIKey of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BLZHSTFZAODHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-14-11(2)18-19(12(14)3)16-10-17-9-13-7-5-6-8-15(13)16/h5-8,16-17H,4,9-10H2,1-3H3.
What are the key properties of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 255.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63938796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).