2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one

C13H23N5O — CID 119887328

IUPAC2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C13H23N5O/c1-11(8-14-2)13(19)18-6-4-17(5-7-18)12-9-15-16(3)10-12/h9-11,14H,4-8H2,1-3H3
InChIKeyWPNDLTQLXQZJBG-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.08
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one

2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 119887328) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
PubChem CID119887328
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C13H23N5O/c1-11(8-14-2)13(19)18-6-4-17(5-7-18)12-9-15-16(3)10-12/h9-11,14H,4-8H2,1-3H3
InChIKeyWPNDLTQLXQZJBG-UHFFFAOYSA-N
XLogP-0.08
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-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

2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one
CID 126767368
2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one
CID 119708836
N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 126793104
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124568412
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 119887348
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119828404
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119887891
2-methyl-3-(methylamino)-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738900
2-methyl-3-(methylamino)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 119872490
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one (CID 119887328) is 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one is CNCC(C)C(=O)N1CCN(c2cnn(C)c2)CC1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is WPNDLTQLXQZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-11(8-14-2)13(19)18-6-4-17(5-7-18)12-9-15-16(3)10-12/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one?
2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 265.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119887328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).