N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide

C10H17N5O2 — CID 113279811

IUPACN-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(=O)NCCNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C10H17N5O2/c1-7(16)12-3-4-13-10(17)9(11)8-5-14-15(2)6-8/h5-6,9H,3-4,11H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyUJIZFMLXVWCPOV-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.33
Rot. Bonds5

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

N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 113279811) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID113279811
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(=O)NCCNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C10H17N5O2/c1-7(16)12-3-4-13-10(17)9(11)8-5-14-15(2)6-8/h5-6,9H,3-4,11H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyUJIZFMLXVWCPOV-UHFFFAOYSA-N
XLogP-1.33
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
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-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422
6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106286706
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289768
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

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide (CID 113279811) is N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide is CC(=O)NCCNC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is UJIZFMLXVWCPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7(16)12-3-4-13-10(17)9(11)8-5-14-15(2)6-8/h5-6,9H,3-4,11H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide?
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 239.28 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 113279811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).