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

C10H11N3O2 — CID 83882340

IUPAC4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one
SMILESNCc1c[nH]n(-c2ccc(O)cc2)c1=O
InChIInChI=1S/C10H11N3O2/c11-5-7-6-12-13(10(7)15)8-1-3-9(14)4-2-8/h1-4,6,12,14H,5,11H2
InChIKeyVFTRBDYAEJJPPC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.33
Rot. Bonds2

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

4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one (PubChem CID 83882340) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one
PubChem CID83882340
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one
SMILESNCc1c[nH]n(-c2ccc(O)cc2)c1=O
InChIInChI=1S/C10H11N3O2/c11-5-7-6-12-13(10(7)15)8-1-3-9(14)4-2-8/h1-4,6,12,14H,5,11H2
InChIKeyVFTRBDYAEJJPPC-UHFFFAOYSA-N
XLogP0.33
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-3-one
CID 115068749
4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 115068748
4-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazol-3-one
CID 83888721
4-(2-aminoethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 115068762
4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 115068747
3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one
CID 105469670
4-(2-aminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
CID 117123210
2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one
CID 91335498
3-[2-(3-hydroxyphenyl)-3-oxo-1H-pyrazol-4-yl]propanoic acid
CID 115068713
4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one
CID 83884734
3-hydroxy-4-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-5-one
CID 117123206
4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 117124240

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one (CID 83882340) is 4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one is NCc1c[nH]n(-c2ccc(O)cc2)c1=O.
What is the InChIKey of 4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one?
The InChIKey is VFTRBDYAEJJPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-5-7-6-12-13(10(7)15)8-1-3-9(14)4-2-8/h1-4,6,12,14H,5,11H2.
What are the key properties of 4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one?
4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one has a molecular weight of 205.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83882340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).