1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one

C12H13N3O2 — CID 83863809

IUPAC1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=c1[nH]n(-c2ccc(O)cc2)c2c1CCNC2
InChIInChI=1S/C12H13N3O2/c16-9-3-1-8(2-4-9)15-11-7-13-6-5-10(11)12(17)14-15/h1-4,13,16H,5-7H2,(H,14,17)
InChIKeyFLSHZNUBYPLCHJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.52
Rot. Bonds1

About 1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one

1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 83863809) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID83863809
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=c1[nH]n(-c2ccc(O)cc2)c2c1CCNC2
InChIInChI=1S/C12H13N3O2/c16-9-3-1-8(2-4-9)15-11-7-13-6-5-10(11)12(17)14-15/h1-4,13,16H,5-7H2,(H,14,17)
InChIKeyFLSHZNUBYPLCHJ-UHFFFAOYSA-N
XLogP0.52
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
CID 122714807
3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
CID 117123206
4-(2-aminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
CID 117123210
6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
CID 69420432
9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol
CID 83881219
2-(4-hydroxyanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965768
4-piperazin-1-ylphenol;dihydrobromide
CID 2723591
1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 142666920
1-(2-fluoro-6-hydroxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-one
CID 155345072
5,8,9-trimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82492831
4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one
CID 83882340
3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 84647281

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one (CID 83863809) is 1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one is O=c1[nH]n(-c2ccc(O)cc2)c2c1CCNC2.
What is the InChIKey of 1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is FLSHZNUBYPLCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-9-3-1-8(2-4-9)15-11-7-13-6-5-10(11)12(17)14-15/h1-4,13,16H,5-7H2,(H,14,17).
What are the key properties of 1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one?
1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 231.25 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 83863809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).