5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one

C14H19N3O — CID 171115211

IUPAC5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one
SMILESCNCc1[nH]n(-c2ccccc2)c(=O)c1C(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)13-12(9-15-3)16-17(14(13)18)11-7-5-4-6-8-11/h4-8,10,15-16H,9H2,1-3H3
InChIKeyMAZURCVHXMILTF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.01
Rot. Bonds4

About 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one

5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one (PubChem CID 171115211) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one
PubChem CID171115211
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one
SMILESCNCc1[nH]n(-c2ccccc2)c(=O)c1C(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)13-12(9-15-3)16-17(14(13)18)11-7-5-4-6-8-11/h4-8,10,15-16H,9H2,1-3H3
InChIKeyMAZURCVHXMILTF-UHFFFAOYSA-N
XLogP2.01
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propyphenazone
CID 3778
4-Aminoantipyrine
CID 2151
Methylaminoantipyrine
CID 10618
Ramifenazone
CID 5037
4-Methyl-1-phenylpyrazolidin-3-one
CID 98282
4-Acetylaminoantipyrine
CID 65743
4-(Formylamino)antipyrine
CID 72666
1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
CID 70335
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(dimethylamino)propanamide
CID 107150
Bisfenazone
CID 189866
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
CID 903616
1,2-Dihydro-1,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one
CID 201234

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one (CID 171115211) is 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one is CNCc1[nH]n(-c2ccccc2)c(=O)c1C(C)C.
What is the InChIKey of 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is MAZURCVHXMILTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)13-12(9-15-3)16-17(14(13)18)11-7-5-4-6-8-11/h4-8,10,15-16H,9H2,1-3H3.
What are the key properties of 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one?
5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 245.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 171115211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).