2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide

C12H22N4O — CID 106328550

IUPAC2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCC(C)(CC)NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H22N4O/c1-5-12(3,6-2)15-11(17)10(13)9-7-14-16(4)8-9/h7-8,10H,5-6,13H2,1-4H3,(H,15,17)
InChIKeyHNNIMDKHUJCTFY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.11
Rot. Bonds5

About 2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 106328550) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID106328550
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCC(C)(CC)NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H22N4O/c1-5-12(3,6-2)15-11(17)10(13)9-7-14-16(4)8-9/h7-8,10H,5-6,13H2,1-4H3,(H,15,17)
InChIKeyHNNIMDKHUJCTFY-UHFFFAOYSA-N
XLogP1.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106187975
3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide
CID 106096606
3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 115290836
2-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430335
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106286706
2-amino-N-[1-(diethylamino)propan-2-yl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290558
2-amino-N-(2-methyl-2-phenylpropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290258

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 106328550) is 2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide is CCC(C)(CC)NC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is HNNIMDKHUJCTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-12(3,6-2)15-11(17)10(13)9-7-14-16(4)8-9/h7-8,10H,5-6,13H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 106328550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).