1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone

C12H21N5O2 — CID 90647941

IUPAC1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
SMILESCc1cc(N)n(CC(=O)N2CCOC(CCN)C2)n1
InChIInChI=1S/C12H21N5O2/c1-9-6-11(14)17(15-9)8-12(18)16-4-5-19-10(7-16)2-3-13/h6,10H,2-5,7-8,13-14H2,1H3
InChIKeyLUQMURNDNMKISJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.65
Rot. Bonds4

About 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone

1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone (PubChem CID 90647941) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
PubChem CID90647941
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
SMILESCc1cc(N)n(CC(=O)N2CCOC(CCN)C2)n1
InChIInChI=1S/C12H21N5O2/c1-9-6-11(14)17(15-9)8-12(18)16-4-5-19-10(7-16)2-3-13/h6,10H,2-5,7-8,13-14H2,1H3
InChIKeyLUQMURNDNMKISJ-UHFFFAOYSA-N
XLogP-0.65
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone 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-(5-Methyl-3-nitro-pyrazol-1-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3099445
Ethyl 5-amino-3-methyl-1H-pyrazole-1-acetate
CID 7176034
N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810934
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821212
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 45821224
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 51080220
1-(2,5-Dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 51080221
N-(2,5-dimethylpyrazol-3-yl)-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53555356
N-(2,5-dimethylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53559105
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 53618525
N-(1,5-dimethylpyrazol-3-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 84590785
3-Amino-1-methylpyrazol-5-yl morpholin-4-yl ketone
CID 45923673

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone (CID 90647941) is 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone is Cc1cc(N)n(CC(=O)N2CCOC(CCN)C2)n1.
What is the InChIKey of 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone?
The InChIKey is LUQMURNDNMKISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9-6-11(14)17(15-9)8-12(18)16-4-5-19-10(7-16)2-3-13/h6,10H,2-5,7-8,13-14H2,1H3.
What are the key properties of 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone?
1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone has a molecular weight of 267.33 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)morpholin-4-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 90647941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).