2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

C13H24N4O2 — CID 79384572

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H24N4O2/c1-6-16(8-13(4,5)19)11(18)7-17-10(3)12(14)9(2)15-17/h19H,6-8,14H2,1-5H3
InChIKeyIKLXLDGJDQSYPM-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.70
Rot. Bonds5

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

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 79384572) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID79384572
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H24N4O2/c1-6-16(8-13(4,5)19)11(18)7-17-10(3)12(14)9(2)15-17/h19H,6-8,14H2,1-5H3
InChIKeyIKLXLDGJDQSYPM-UHFFFAOYSA-N
XLogP0.70
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 61116881
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
1-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
CID 79385295
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxy-2-methylpropyl)acetamide
CID 114940285
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-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43574064
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 61075325
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79379584

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (CID 79384572) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is CCN(CC(C)(C)O)C(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is IKLXLDGJDQSYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-16(8-13(4,5)19)11(18)7-17-10(3)12(14)9(2)15-17/h19H,6-8,14H2,1-5H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 79384572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).