4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one

C14H19N3O2 — CID 63973983

IUPAC4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one
SMILESCCC1=NN(c2ccccc2OC)C(=O)C1CCN
InChIInChI=1S/C14H19N3O2/c1-3-11-10(8-9-15)14(18)17(16-11)12-6-4-5-7-13(12)19-2/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyQEFWOKUSHABICQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.77
Rot. Bonds5

About 4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one

4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one (PubChem CID 63973983) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one
PubChem CID63973983
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one
SMILESCCC1=NN(c2ccccc2OC)C(=O)C1CCN
InChIInChI=1S/C14H19N3O2/c1-3-11-10(8-9-15)14(18)17(16-11)12-6-4-5-7-13(12)19-2/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyQEFWOKUSHABICQ-UHFFFAOYSA-N
XLogP1.77
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-(2-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 79219836
4-(3-aminopropyl)-5-ethyl-2-(4-fluoro-2-methylphenyl)-4H-pyrazol-3-one
CID 63973803
2-[1-(2-methoxyphenyl)piperidin-2-yl]ethanamine
CID 82389615
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719
4-(3-aminopropyl)-2-(2-fluorophenyl)-5-methyl-4H-pyrazol-3-one
CID 63972425
4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 105491011
3-(2-aminoethyl)-1-methyl-3H-indol-2-one
CID 3486621
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 84695827
2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83821894
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one
CID 63034560
(3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione
CID 39221193

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one?
The IUPAC name of 4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one (CID 63973983) is 4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one is CCC1=NN(c2ccccc2OC)C(=O)C1CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one?
The InChIKey is QEFWOKUSHABICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-11-10(8-9-15)14(18)17(16-11)12-6-4-5-7-13(12)19-2/h4-7,10H,3,8-9,15H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one?
4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one has a molecular weight of 261.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 63973983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).