2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone

C12H20N4O2 — CID 43647522

IUPAC2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nn(CC(=O)N2CCOCC2)c(C)c1CN
InChIInChI=1S/C12H20N4O2/c1-9-11(7-13)10(2)16(14-9)8-12(17)15-3-5-18-6-4-15/h3-8,13H2,1-2H3
InChIKeySQKNGCJKAVXYAL-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.18
Rot. Bonds3

About 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone

2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 43647522) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID43647522
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nn(CC(=O)N2CCOCC2)c(C)c1CN
InChIInChI=1S/C12H20N4O2/c1-9-11(7-13)10(2)16(14-9)8-12(17)15-3-5-18-6-4-15/h3-8,13H2,1-2H3
InChIKeySQKNGCJKAVXYAL-UHFFFAOYSA-N
XLogP-0.18
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone 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-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 1100799
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
Morpholine, 4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-
CID 5305771
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
1-Cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
CID 46963063
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47020141
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53605725
1-Cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one
CID 56703940
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 72043658
N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
CID 75399233
1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone
CID 97405045
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone (CID 43647522) is 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone is Cc1nn(CC(=O)N2CCOCC2)c(C)c1CN.
What is the InChIKey of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is SQKNGCJKAVXYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-11(7-13)10(2)16(14-9)8-12(17)15-3-5-18-6-4-15/h3-8,13H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone?
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 252.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 43647522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).