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

C12H15N3O2 — CID 117123558

IUPAC4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2ccccc2O)c(=O)c1CN
InChIInChI=1S/C12H15N3O2/c1-2-9-8(7-13)12(17)15(14-9)10-5-3-4-6-11(10)16/h3-6,14,16H,2,7,13H2,1H3
InChIKeyAYKXOTHAZABBEH-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.89
Rot. Bonds3

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

4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one (PubChem CID 117123558) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one
PubChem CID117123558
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2ccccc2O)c(=O)c1CN
InChIInChI=1S/C12H15N3O2/c1-2-9-8(7-13)12(17)15(14-9)10-5-3-4-6-11(10)16/h3-6,14,16H,2,7,13H2,1H3
InChIKeyAYKXOTHAZABBEH-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-(3-hydroxyphenyl)-1H-pyrazol-3-one
CID 117123879
2-[5-tert-butyl-2-(2-hydroxyphenyl)-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 117123721
4-amino-2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995000
3-[5-ethyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]propanoic acid
CID 117124325
(2E)-2-[(4Z)-4-ethylidene-1-(2-hydroxyphenyl)-5-oxopyrazolidin-3-ylidene]acetaldehyde
CID 129207583
2-(aminomethyl)-3-ethylphenol
CID 21467751
4-(3-aminopropyl)-2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 117123339
5-ethyl-4-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazol-3-one
CID 117124091
4-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazolidine-3,5-dione
CID 10778369
4-(3-aminopropyl)-2-(2-bromophenyl)-5-methyl-1H-pyrazol-3-one
CID 117123340
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
benzene;2-ethylphenol
CID 159726745

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one (CID 117123558) is 4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one is CCc1[nH]n(-c2ccccc2O)c(=O)c1CN.
What is the InChIKey of 4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one?
The InChIKey is AYKXOTHAZABBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-9-8(7-13)12(17)15(14-9)10-5-3-4-6-11(10)16/h3-6,14,16H,2,7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-5-ethyl-2-(2-hydroxyphenyl)-1H-pyrazol-3-one?
4-(aminomethyl)-5-ethyl-2-(2-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-(2-hydroxyphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 117123558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).