4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one

C13H16ClN3O — CID 63276803

IUPAC4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one
SMILESCCn1c(C)c(N)c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C13H16ClN3O/c1-3-16-9(2)12(15)13(18)17(16)8-10-6-4-5-7-11(10)14/h4-7H,3,8,15H2,1-2H3
InChIKeyUDEKJRJRVMFRKJ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.26
Rot. Bonds3

About 4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one

4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one (PubChem CID 63276803) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one
PubChem CID63276803
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one
SMILESCCn1c(C)c(N)c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C13H16ClN3O/c1-3-16-9(2)12(15)13(18)17(16)8-10-6-4-5-7-11(10)14/h4-7H,3,8,15H2,1-2H3
InChIKeyUDEKJRJRVMFRKJ-UHFFFAOYSA-N
XLogP2.26
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[(2-chlorophenyl)methyl]-5-(methoxymethyl)-1-methylpyrazol-3-one
CID 63276802
1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
CID 116624300
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione
CID 17129349
4-amino-2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995000
1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946288
1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione
CID 43236228
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine
CID 7017721
2-[(2-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63276587
ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
CID 100785102
2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one
CID 104844908

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one?
The IUPAC name of 4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one (CID 63276803) is 4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one?
The canonical SMILES for 4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one is CCn1c(C)c(N)c(=O)n1Cc1ccccc1Cl.
What is the InChIKey of 4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one?
The InChIKey is UDEKJRJRVMFRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-16-9(2)12(15)13(18)17(16)8-10-6-4-5-7-11(10)14/h4-7H,3,8,15H2,1-2H3.
What are the key properties of 4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one?
4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one has a molecular weight of 265.74 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazol-3-one is sourced from PubChem (CID 63276803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).