1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline

C16H17N3O — CID 91191943

IUPAC1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline
SMILESCC(C)(C)n1ccc(Oc2nccc3ccccc23)n1
InChIInChI=1S/C16H17N3O/c1-16(2,3)19-11-9-14(18-19)20-15-13-7-5-4-6-12(13)8-10-17-15/h4-11H,1-3H3
InChIKeyVOQMENCEQLYOHQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.98
Rot. Bonds2

About 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline

1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline (PubChem CID 91191943) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline.

Molecular Properties

Compound Name1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline
PubChem CID91191943
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline
SMILESCC(C)(C)n1ccc(Oc2nccc3ccccc23)n1
InChIInChI=1S/C16H17N3O/c1-16(2,3)19-11-9-14(18-19)20-15-13-7-5-4-6-12(13)8-10-17-15/h4-11H,1-3H3
InChIKeyVOQMENCEQLYOHQ-UHFFFAOYSA-N
XLogP3.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenoxy)isoquinoline
CID 118474551
1-(3-tert-butyl-5-methylphenoxy)isoquinoline
CID 153460811
1-(6-chloropyrimidin-4-yl)oxyisoquinoline
CID 87890292
4-isoquinolin-1-yloxybenzoic acid
CID 80505375
1-[(3-chloro-2-pyridinyl)oxy]isoquinoline
CID 123551407
3-chloro-2-isoquinolin-1-yloxyaniline
CID 107718011
3-fluoro-2-isoquinolin-1-yloxyaniline
CID 104832181
isoquinolin-1-yl 2,2,2-trifluoroacetate
CID 57450719
cobalt;2-isoquinolin-1-yloxy-2-oxoacetic acid
CID 175315768
1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine
CID 71010403
2-isoquinolin-1-yloxyacetaldehyde
CID 45091417
N-tert-butylisoquinoline-1-carboxamide
CID 62046176

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline?
The IUPAC name of 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline (CID 91191943) is 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline.
What is the SMILES notation for 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline?
The canonical SMILES for 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline is CC(C)(C)n1ccc(Oc2nccc3ccccc23)n1.
What is the InChIKey of 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline?
The InChIKey is VOQMENCEQLYOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-16(2,3)19-11-9-14(18-19)20-15-13-7-5-4-6-12(13)8-10-17-15/h4-11H,1-3H3.
What are the key properties of 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline?
1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline has a molecular weight of 267.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline is sourced from PubChem (CID 91191943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).