5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one

C9H8ClN3O — CID 20565209

IUPAC5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one
SMILESNC1=NN(c2ccccc2Cl)C(=O)C1
InChIInChI=1S/C9H8ClN3O/c10-6-3-1-2-4-7(6)13-9(14)5-8(11)12-13/h1-4H,5H2,(H2,11,12)
InChIKeyAKCDODMHSIQHEF-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.35
Rot. Bonds1

About 5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one

5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one (PubChem CID 20565209) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one
PubChem CID20565209
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one
SMILESNC1=NN(c2ccccc2Cl)C(=O)C1
InChIInChI=1S/C9H8ClN3O/c10-6-3-1-2-4-7(6)13-9(14)5-8(11)12-13/h1-4H,5H2,(H2,11,12)
InChIKeyAKCDODMHSIQHEF-UHFFFAOYSA-N
XLogP1.35
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one?
The IUPAC name of 5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one (CID 20565209) is 5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one is NC1=NN(c2ccccc2Cl)C(=O)C1.
What is the InChIKey of 5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one?
The InChIKey is AKCDODMHSIQHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-3-1-2-4-7(6)13-9(14)5-8(11)12-13/h1-4H,5H2,(H2,11,12).
What are the key properties of 5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one?
5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one has a molecular weight of 209.64 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chlorophenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 20565209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).