4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one

C12H15N3O — CID 83887677

IUPAC4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one
SMILESCNCc1cn(-c2ccccc2C)[nH]c1=O
InChIInChI=1S/C12H15N3O/c1-9-5-3-4-6-11(9)15-8-10(7-13-2)12(16)14-15/h3-6,8,13H,7H2,1-2H3,(H,14,16)
InChIKeyOHZJDHIFMCZXAM-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.19
Rot. Bonds3

About 4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one

4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one (PubChem CID 83887677) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one
PubChem CID83887677
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one
SMILESCNCc1cn(-c2ccccc2C)[nH]c1=O
InChIInChI=1S/C12H15N3O/c1-9-5-3-4-6-11(9)15-8-10(7-13-2)12(16)14-15/h3-6,8,13H,7H2,1-2H3,(H,14,16)
InChIKeyOHZJDHIFMCZXAM-UHFFFAOYSA-N
XLogP1.19
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
CID 83889894
2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
CID 83888737
1-[2-(methylaminomethyl)phenyl]azepane-2,7-dione
CID 61350563
5-methyl-1-(2-methylphenyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-3-one
CID 105486750
4,4-dimethyl-1-[2-(methylaminomethyl)phenyl]piperidine-2,6-dione
CID 62930376
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
1-[4-chloro-1-(2-methylphenyl)pyrazol-3-yl]-N-methylmethanamine
CID 83896833
2-methyl-5-(methylaminomethyl)-1-phenylpyridin-4-one
CID 82419740
1-[2-(2,3-dimethylphenyl)phenyl]-N-methylmethanamine
CID 62549368
N-methyl-1-[2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 62267365
2-[2-(methylaminomethyl)phenyl]acetaldehyde
CID 54060686
1-(2-iodo-3-methylphenyl)-N-methylmethanamine
CID 15288422

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one?
The IUPAC name of 4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one (CID 83887677) is 4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one?
The canonical SMILES for 4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one is CNCc1cn(-c2ccccc2C)[nH]c1=O.
What is the InChIKey of 4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one?
The InChIKey is OHZJDHIFMCZXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-5-3-4-6-11(9)15-8-10(7-13-2)12(16)14-15/h3-6,8,13H,7H2,1-2H3,(H,14,16).
What are the key properties of 4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one?
4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one is sourced from PubChem (CID 83887677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).