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

C13H24N4O2 — CID 106286706

IUPAC2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCC(CC)C(O)CNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C13H24N4O2/c1-4-9(5-2)11(18)7-15-13(19)12(14)10-6-16-17(3)8-10/h6,8-9,11-12,18H,4-5,7,14H2,1-3H3,(H,15,19)
InChIKeyPYCXWKUPXINWJE-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.33
Rot. Bonds7

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

2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 106286706) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID106286706
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCC(CC)C(O)CNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C13H24N4O2/c1-4-9(5-2)11(18)7-15-13(19)12(14)10-6-16-17(3)8-10/h6,8-9,11-12,18H,4-5,7,14H2,1-3H3,(H,15,19)
InChIKeyPYCXWKUPXINWJE-UHFFFAOYSA-N
XLogP0.33
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115360077
2-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430335
2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106328550
6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 106286706) is 2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide is CCC(CC)C(O)CNC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is PYCXWKUPXINWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-9(5-2)11(18)7-15-13(19)12(14)10-6-16-17(3)8-10/h6,8-9,11-12,18H,4-5,7,14H2,1-3H3,(H,15,19).
What are the key properties of 2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 106286706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).