2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one

C10H10ClN3O — CID 11287517

IUPAC2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one
SMILESCc1cc(=O)[nH]n1-c1cc(Cl)ccc1N
InChIInChI=1S/C10H10ClN3O/c1-6-4-10(15)13-14(6)9-5-7(11)2-3-8(9)12/h2-5H,12H2,1H3,(H,13,15)
InChIKeyJEXHJTWEKSKFNQ-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.71
Rot. Bonds1

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

2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one (PubChem CID 11287517) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one
PubChem CID11287517
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one
SMILESCc1cc(=O)[nH]n1-c1cc(Cl)ccc1N
InChIInChI=1S/C10H10ClN3O/c1-6-4-10(15)13-14(6)9-5-7(11)2-3-8(9)12/h2-5H,12H2,1H3,(H,13,15)
InChIKeyJEXHJTWEKSKFNQ-UHFFFAOYSA-N
XLogP1.71
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one?
The IUPAC name of 2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one (CID 11287517) is 2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one is Cc1cc(=O)[nH]n1-c1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one?
The InChIKey is JEXHJTWEKSKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6-4-10(15)13-14(6)9-5-7(11)2-3-8(9)12/h2-5H,12H2,1H3,(H,13,15).
What are the key properties of 2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one?
2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one has a molecular weight of 223.66 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 11287517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).