2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one

C11H13N3O2 — CID 83888737

IUPAC2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
SMILESCNCc1cn(-c2cccc(O)c2)[nH]c1=O
InChIInChI=1S/C11H13N3O2/c1-12-6-8-7-14(13-11(8)16)9-3-2-4-10(15)5-9/h2-5,7,12,15H,6H2,1H3,(H,13,16)
InChIKeyCDBKMOOIGYQODC-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.59
Rot. Bonds3

About 2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one

2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one (PubChem CID 83888737) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
PubChem CID83888737
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
SMILESCNCc1cn(-c2cccc(O)c2)[nH]c1=O
InChIInChI=1S/C11H13N3O2/c1-12-6-8-7-14(13-11(8)16)9-3-2-4-10(15)5-9/h2-5,7,12,15H,6H2,1H3,(H,13,16)
InChIKeyCDBKMOOIGYQODC-UHFFFAOYSA-N
XLogP0.59
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
CID 83895937
4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one
CID 83887677
2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
CID 83889894
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
2-methyl-5-(methylaminomethyl)-1-phenylpyridin-4-one
CID 82419740
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703395
4-[3-(methylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione
CID 107409814
4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one
CID 117123879
5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrazol-3-one
CID 83887554
2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 115038208
1-(3-hydroxyphenyl)-4,4-dimethylimidazolidin-2-one
CID 105458800
2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one
CID 83889917

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one?
The IUPAC name of 2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one (CID 83888737) is 2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one is CNCc1cn(-c2cccc(O)c2)[nH]c1=O.
What is the InChIKey of 2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one?
The InChIKey is CDBKMOOIGYQODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-12-6-8-7-14(13-11(8)16)9-3-2-4-10(15)5-9/h2-5,7,12,15H,6H2,1H3,(H,13,16).
What are the key properties of 2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one?
2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one has a molecular weight of 219.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one is sourced from PubChem (CID 83888737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).