3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one

C10H11N3O2 — CID 63034419

IUPAC3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one
SMILESCOc1ccccc1-n1[nH]c(=O)cc1N
InChIInChI=1S/C10H11N3O2/c1-15-8-5-3-2-4-7(8)13-9(11)6-10(14)12-13/h2-6H,11H2,1H3,(H,12,14)
InChIKeyQCBIXKAVRQQLLF-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.76
Rot. Bonds2

About 3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one

3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one (PubChem CID 63034419) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one
PubChem CID63034419
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one
SMILESCOc1ccccc1-n1[nH]c(=O)cc1N
InChIInChI=1S/C10H11N3O2/c1-15-8-5-3-2-4-7(8)13-9(11)6-10(14)12-13/h2-6H,11H2,1H3,(H,12,14)
InChIKeyQCBIXKAVRQQLLF-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one?
The IUPAC name of 3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one (CID 63034419) is 3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one.
What is the SMILES notation for 3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one?
The canonical SMILES for 3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one is COc1ccccc1-n1[nH]c(=O)cc1N.
What is the InChIKey of 3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one?
The InChIKey is QCBIXKAVRQQLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-8-5-3-2-4-7(8)13-9(11)6-10(14)12-13/h2-6H,11H2,1H3,(H,12,14).
What are the key properties of 3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one?
3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-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 3-amino-2-(2-methoxyphenyl)-1H-pyrazol-5-one is sourced from PubChem (CID 63034419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).