2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C13H22N4O — CID 61116881

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H22N4O/c1-6-16(7-9(2)3)12(18)8-17-11(5)13(14)10(4)15-17/h2,6-8,14H2,1,3-5H3
InChIKeyNDOLQRLNZUDABK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.51
Rot. Bonds5

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 61116881) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID61116881
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H22N4O/c1-6-16(7-9(2)3)12(18)8-17-11(5)13(14)10(4)15-17/h2,6-8,14H2,1,3-5H3
InChIKeyNDOLQRLNZUDABK-UHFFFAOYSA-N
XLogP1.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide 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-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79384572
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methoxyethyl)acetamide
CID 61443783
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 61105427
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107396881
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide
CID 61110124
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 61114497
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112656429
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 61075325
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide
CID 106934214
2-[1-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294442
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 43445186
2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322941

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 61116881) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is NDOLQRLNZUDABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-6-16(7-9(2)3)12(18)8-17-11(5)13(14)10(4)15-17/h2,6-8,14H2,1,3-5H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 61116881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).