[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol

C15H15N3O2 — CID 106768860

IUPAC[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol
SMILESCCn1cc(Oc2ncc(CO)c3ccccc23)cn1
InChIInChI=1S/C15H15N3O2/c1-2-18-9-12(8-17-18)20-15-14-6-4-3-5-13(14)11(10-19)7-16-15/h3-9,19H,2,10H2,1H3
InChIKeyMXGVPMDYXYVGOR-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.74
Rot. Bonds4

About [1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol

[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol (PubChem CID 106768860) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol
PubChem CID106768860
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol
SMILESCCn1cc(Oc2ncc(CO)c3ccccc23)cn1
InChIInChI=1S/C15H15N3O2/c1-2-18-9-12(8-17-18)20-15-14-6-4-3-5-13(14)11(10-19)7-16-15/h3-9,19H,2,10H2,1H3
InChIKeyMXGVPMDYXYVGOR-UHFFFAOYSA-N
XLogP2.74
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine
CID 106777567
N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine
CID 106777404
[4-(1-ethylpyrazol-4-yl)oxyquinazolin-2-yl]hydrazine
CID 116806830
[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol
CID 116801965
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
[5-(1-ethylpyrazol-4-yl)oxypyrazin-2-yl]methanol
CID 107373241
1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine
CID 116802822
[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol
CID 116801961
4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide
CID 116801498
[2-(1-propylpyrazol-4-yl)oxyquinolin-4-yl]methanol
CID 116802650
N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391771
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
CID 106878112

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol?
The IUPAC name of [1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol (CID 106768860) is [1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol.
What is the SMILES notation for [1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol?
The canonical SMILES for [1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol is CCn1cc(Oc2ncc(CO)c3ccccc23)cn1.
What is the InChIKey of [1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol?
The InChIKey is MXGVPMDYXYVGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-18-9-12(8-17-18)20-15-14-6-4-3-5-13(14)11(10-19)7-16-15/h3-9,19H,2,10H2,1H3.
What are the key properties of [1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol?
[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol has a molecular weight of 269.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol is sourced from PubChem (CID 106768860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).