N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride

C16H31ClN4O2 — CID 119747423

IUPACN-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-15(2,3)12-10-13(20(19-12)16(4,5)6)18-14(21)11-17-8-9-22-7;/h10,17H,8-9,11H2,1-7H3,(H,18,21);1H
InChIKeySMDUGZJKKQWPKR-UHFFFAOYSA-N
MW346.90 g/mol
LogP2.53
Rot. Bonds6

About N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride

N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119747423) has the molecular formula C16H31ClN4O2 and a molecular weight of 346.90 g/mol. Its IUPAC name is N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119747423
Molecular FormulaC16H31ClN4O2
Molecular Weight346.90 g/mol
Exact Mass346.21
IUPAC NameN-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-15(2,3)12-10-13(20(19-12)16(4,5)6)18-14(21)11-17-8-9-22-7;/h10,17H,8-9,11H2,1-7H3,(H,18,21);1H
InChIKeySMDUGZJKKQWPKR-UHFFFAOYSA-N
XLogP2.53
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride 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

5-amino-N-(1,3-ditert-butylpyrazol-5-yl)-2-methylbenzamide;hydrochloride
CID 120625352
1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-methylphenyl)urea
CID 770901
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride
CID 120609710
5-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 167921765
1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754869
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
CID 42733927
5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79271306
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide
CID 42733934
1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926302
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 42732187

Frequently Asked Questions

What is the IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119747423) is N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C.Cl.
What is the InChIKey of N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is SMDUGZJKKQWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.ClH/c1-15(2,3)12-10-13(20(19-12)16(4,5)6)18-14(21)11-17-8-9-22-7;/h10,17H,8-9,11H2,1-7H3,(H,18,21);1H.
What are the key properties of N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-ditert-butylpyrazol-5-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119747423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).