4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one

C10H11N3O2 — CID 83882338

IUPAC4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one
SMILESCOc1ccccc1-n1[nH]cc(N)c1=O
InChIInChI=1S/C10H11N3O2/c1-15-9-5-3-2-4-8(9)13-10(14)7(11)6-12-13/h2-6,12H,11H2,1H3
InChIKeyALDAMHNDZNFFHC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.76
Rot. Bonds2

About 4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one

4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one (PubChem CID 83882338) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one
PubChem CID83882338
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one
SMILESCOc1ccccc1-n1[nH]cc(N)c1=O
InChIInChI=1S/C10H11N3O2/c1-15-9-5-3-2-4-8(9)13-10(14)7(11)6-12-13/h2-6,12H,11H2,1H3
InChIKeyALDAMHNDZNFFHC-UHFFFAOYSA-N
XLogP0.76
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-4,5-dimethyl-1H-pyrazol-3-one
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4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
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2-(2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66023164
5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one
CID 82841610
5-methoxy-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 87203020
5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one
CID 16765792
2-methoxyaniline;dihydrochloride
CID 69020746
5-amino-1-(2-methoxyphenyl)pyrimidin-2-one
CID 82043847
2-(2-methoxy-5-methylphenyl)-3-oxo-1H-pyrazole-4-carboxylic acid
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4-amino-5-(2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one (CID 83882338) is 4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one is COc1ccccc1-n1[nH]cc(N)c1=O.
What is the InChIKey of 4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one?
The InChIKey is ALDAMHNDZNFFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-9-5-3-2-4-8(9)13-10(14)7(11)6-12-13/h2-6,12H,11H2,1H3.
What are the key properties of 4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one?
4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one has a molecular weight of 205.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83882338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).