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

C12H15N3O2 — CID 117123879

IUPAC4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2cccc(O)c2)c(=O)c1CN
InChIInChI=1S/C12H15N3O2/c1-2-11-10(7-13)12(17)15(14-11)8-4-3-5-9(16)6-8/h3-6,14,16H,2,7,13H2,1H3
InChIKeyLPCPPCQSGGHMAJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.89
Rot. Bonds3

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

4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one (PubChem CID 117123879) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one
PubChem CID117123879
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2cccc(O)c2)c(=O)c1CN
InChIInChI=1S/C12H15N3O2/c1-2-11-10(7-13)12(17)15(14-11)8-4-3-5-9(16)6-8/h3-6,14,16H,2,7,13H2,1H3
InChIKeyLPCPPCQSGGHMAJ-UHFFFAOYSA-N
XLogP0.89
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one
CID 117123558
3-[2-(3-hydroxyphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]propanoic acid
CID 117124050
5-ethyl-2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-4-carboxylic acid
CID 117123980
5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
CID 114798023
3-[5-ethyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]propanoic acid
CID 117124325
2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 115038208
5-ethyl-4-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazol-3-one
CID 117124091
3-[2-(3-hydroxyphenyl)-3-oxo-1H-pyrazol-4-yl]propanoic acid
CID 115068713
4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995200
4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 103995167
2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
CID 83895937
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one (CID 117123879) is 4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one is CCc1[nH]n(-c2cccc(O)c2)c(=O)c1CN.
What is the InChIKey of 4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one?
The InChIKey is LPCPPCQSGGHMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-11-10(7-13)12(17)15(14-11)8-4-3-5-9(16)6-8/h3-6,14,16H,2,7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one?
4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one has a molecular weight of 233.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 117123879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).