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

C10H10ClN3O — CID 71342884

IUPAC5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one
SMILESCC1C(=O)N(c2ccccc2Cl)N=C1N
InChIInChI=1S/C10H10ClN3O/c1-6-9(12)13-14(10(6)15)8-5-3-2-4-7(8)11/h2-6H,1H3,(H2,12,13)
InChIKeyFCQZYTYBDZGHIK-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.59
Rot. Bonds1

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

5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one (PubChem CID 71342884) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one
PubChem CID71342884
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one
SMILESCC1C(=O)N(c2ccccc2Cl)N=C1N
InChIInChI=1S/C10H10ClN3O/c1-6-9(12)13-14(10(6)15)8-5-3-2-4-7(8)11/h2-6H,1H3,(H2,12,13)
InChIKeyFCQZYTYBDZGHIK-UHFFFAOYSA-N
XLogP1.59
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.59
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)-4-methyl-4H-pyrazol-3-one?
The IUPAC name of 5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one (CID 71342884) is 5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one?
The canonical SMILES for 5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one is CC1C(=O)N(c2ccccc2Cl)N=C1N.
What is the InChIKey of 5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one?
The InChIKey is FCQZYTYBDZGHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6-9(12)13-14(10(6)15)8-5-3-2-4-7(8)11/h2-6H,1H3,(H2,12,13).
What are the key properties of 5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one?
5-amino-2-(2-chlorophenyl)-4-methyl-4H-pyrazol-3-one has a molecular weight of 223.66 g/mol, XLogP of 1.59, 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)-4-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 71342884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).