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

C12H22N4O2 — CID 115290395

IUPAC2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H22N4O2/c1-8(2)4-10(7-17)15-12(18)11(13)9-5-14-16(3)6-9/h5-6,8,10-11,17H,4,7,13H2,1-3H3,(H,15,18)
InChIKeyQVVYSJMOLOANAA-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.06
Rot. Bonds6

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

2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290395) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290395
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H22N4O2/c1-8(2)4-10(7-17)15-12(18)11(13)9-5-14-16(3)6-9/h5-6,8,10-11,17H,4,7,13H2,1-3H3,(H,15,18)
InChIKeyQVVYSJMOLOANAA-UHFFFAOYSA-N
XLogP-0.06
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
2-amino-N-[1-(diethylamino)propan-2-yl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290558
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288800
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422
(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 103870099
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-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291021
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291026
6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115290395) is 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide is CC(C)CC(CO)NC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is QVVYSJMOLOANAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)4-10(7-17)15-12(18)11(13)9-5-14-16(3)6-9/h5-6,8,10-11,17H,4,7,13H2,1-3H3,(H,15,18).
What are the key properties of 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).