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

C11H12ClN3O — CID 79219342

IUPAC4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2cccc(Cl)c2)C(=O)C1CN
InChIInChI=1S/C11H12ClN3O/c1-7-10(6-13)11(16)15(14-7)9-4-2-3-8(12)5-9/h2-5,10H,6,13H2,1H3
InChIKeyPLMGBZHFMNVKEN-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.64
Rot. Bonds2

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

4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 79219342) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one
PubChem CID79219342
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2cccc(Cl)c2)C(=O)C1CN
InChIInChI=1S/C11H12ClN3O/c1-7-10(6-13)11(16)15(14-7)9-4-2-3-8(12)5-9/h2-5,10H,6,13H2,1H3
InChIKeyPLMGBZHFMNVKEN-UHFFFAOYSA-N
XLogP1.64
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H-Pyrazol-3-one, 2-(4-chlorophenyl)-2,4-dihydro-5-methyl-
CID 83055
3-Methyl-1-(3'-chlorophenyl)-2-pyrazolin-5-one
CID 66656
3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-
CID 84534
3H-Pyrazol-3-one, 2-(2,5-dichlorophenyl)-2,4-dihydro-5-methyl-
CID 83139
2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
CID 83160
2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 847419
1-(3-Chlorophenyl)-3-methacrylamido-2-pyrazolin-5-one
CID 4150135
1-(3-chlorophenyl)-3-cyclopropyl-4,5-dihydro-1H-pyrazol-5-one
CID 55220260
2-(3-Chloro-4-fluoro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 806581
2-(3,5-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
CID 3531290
1-(4-Chlorophenyl)-3-propyl-4,5-dihydro-1H-pyrazol-5-one
CID 14231215
4-((3-Chlorophenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 3774218

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one (CID 79219342) is 4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(c2cccc(Cl)c2)C(=O)C1CN.
What is the InChIKey of 4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is PLMGBZHFMNVKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7-10(6-13)11(16)15(14-7)9-4-2-3-8(12)5-9/h2-5,10H,6,13H2,1H3.
What are the key properties of 4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one?
4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 237.69 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 79219342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).