3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol

C16H16N4O — CID 59311746

IUPAC3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
SMILESNc1[nH]nc2nc(-c3cccc(O)c3)c3c(c12)CCCC3
InChIInChI=1S/C16H16N4O/c17-15-13-11-6-1-2-7-12(11)14(18-16(13)20-19-15)9-4-3-5-10(21)8-9/h3-5,8,21H,1-2,6-7H2,(H3,17,18,19,20)
InChIKeySHGSGVQAUQQHJS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.79
Rot. Bonds1

About 3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol

3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol (PubChem CID 59311746) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol.

Molecular Properties

Compound Name3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
PubChem CID59311746
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
SMILESNc1[nH]nc2nc(-c3cccc(O)c3)c3c(c12)CCCC3
InChIInChI=1S/C16H16N4O/c17-15-13-11-6-1-2-7-12(11)14(18-16(13)20-19-15)9-4-3-5-10(21)8-9/h3-5,8,21H,1-2,6-7H2,(H3,17,18,19,20)
InChIKeySHGSGVQAUQQHJS-UHFFFAOYSA-N
XLogP2.79
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-methylphenyl)-4,5,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraen-3-amine
CID 59311734
3-(3-amino-1H-pyrazol-5-yl)phenol
CID 55253217
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CID 18455700
3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide
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CID 84666531
2-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 703281
3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921126
3-[3-(3-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 164619573
2-amino-4-(3-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82119478
N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide
CID 10214778
5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
CID 46887767
3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol
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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol?
The IUPAC name of 3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol (CID 59311746) is 3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol.
What is the SMILES notation for 3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol?
The canonical SMILES for 3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol is Nc1[nH]nc2nc(-c3cccc(O)c3)c3c(c12)CCCC3.
What is the InChIKey of 3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol?
The InChIKey is SHGSGVQAUQQHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-15-13-11-6-1-2-7-12(11)14(18-16(13)20-19-15)9-4-3-5-10(21)8-9/h3-5,8,21H,1-2,6-7H2,(H3,17,18,19,20).
What are the key properties of 3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol?
3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol has a molecular weight of 280.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol is sourced from PubChem (CID 59311746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).