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

C9H8ClN3O — CID 83884734

IUPAC4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one
SMILESNc1c[nH]n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C9H8ClN3O/c10-6-1-3-7(4-2-6)13-9(14)8(11)5-12-13/h1-5,12H,11H2
InChIKeyKCMLGCWCOAFLFR-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.40
Rot. Bonds1

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

4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one (PubChem CID 83884734) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one
PubChem CID83884734
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one
SMILESNc1c[nH]n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C9H8ClN3O/c10-6-1-3-7(4-2-6)13-9(14)8(11)5-12-13/h1-5,12H,11H2
InChIKeyKCMLGCWCOAFLFR-UHFFFAOYSA-N
XLogP1.40
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-phenyl-1H-pyridazine-3,4-dione
CID 5200261
4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one
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N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 15421763
4-amino-2-(4-chlorophenyl)pyridazin-3-one
CID 164662680
4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one
CID 83882340
4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 5305598
4-(2-aminoethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 115068762
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
4-methyl-2-phenyl-1H-pyrazol-3-one
CID 12799760
2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634870
2-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-3-one
CID 115068749
5-amino-4-[(S)-(4-chlorophenyl)-hydroxymethyl]-2-phenyl-1H-pyrazol-3-one
CID 27878385

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one (CID 83884734) is 4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one is Nc1c[nH]n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one?
The InChIKey is KCMLGCWCOAFLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-1-3-7(4-2-6)13-9(14)8(11)5-12-13/h1-5,12H,11H2.
What are the key properties of 4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one?
4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one has a molecular weight of 209.64 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83884734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).