[1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine

C16H18N4O — CID 106777567

IUPAC[1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine
SMILESCCCn1cc(Oc2ncc(CN)c3ccccc23)cn1
InChIInChI=1S/C16H18N4O/c1-2-7-20-11-13(10-19-20)21-16-15-6-4-3-5-14(15)12(8-17)9-18-16/h3-6,9-11H,2,7-8,17H2,1H3
InChIKeyLUSRWAJLROKCRC-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.09
Rot. Bonds5

About [1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine

[1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine (PubChem CID 106777567) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine
PubChem CID106777567
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine
SMILESCCCn1cc(Oc2ncc(CN)c3ccccc23)cn1
InChIInChI=1S/C16H18N4O/c1-2-7-20-11-13(10-19-20)21-16-15-6-4-3-5-14(15)12(8-17)9-18-16/h3-6,9-11H,2,7-8,17H2,1H3
InChIKeyLUSRWAJLROKCRC-UHFFFAOYSA-N
XLogP3.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol
CID 106768860
[3-chloro-2-(1-propylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 107056208
[2-bromo-4-(1-propylpyrazol-4-yl)oxyphenyl]methanamine
CID 107275288
4-methyl-2-(1-propylpyrazol-4-yl)oxypyridin-3-amine
CID 116800363
2-[5-methyl-6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanamine
CID 116804222
[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
CID 106777391
[5-(1-propylpyrazol-4-yl)oxypyrazin-2-yl]methanamine
CID 116800165
[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 116803468
[5,6-diethyl-3-(1-propylpyrazol-4-yl)oxypyridazin-4-yl]methanamine
CID 116800159
[2-(1-propylpyrazol-4-yl)oxyquinolin-4-yl]methanol
CID 116802650
2-(1-propylpyrazol-4-yl)oxypyridine-3-sulfonamide
CID 116800430
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439

Frequently Asked Questions

What is the IUPAC name of [1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine?
The IUPAC name of [1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine (CID 106777567) is [1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine?
The canonical SMILES for [1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine is CCCn1cc(Oc2ncc(CN)c3ccccc23)cn1.
What is the InChIKey of [1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine?
The InChIKey is LUSRWAJLROKCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-7-20-11-13(10-19-20)21-16-15-6-4-3-5-14(15)12(8-17)9-18-16/h3-6,9-11H,2,7-8,17H2,1H3.
What are the key properties of [1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine?
[1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine has a molecular weight of 282.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).