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

C9H17N5O — CID 115290433

IUPAC2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)NCCCN)cn1
InChIInChI=1S/C9H17N5O/c1-14-6-7(5-13-14)8(11)9(15)12-4-2-3-10/h5-6,8H,2-4,10-11H2,1H3,(H,12,15)
InChIKeyOKOHJUPEZAIWLP-UHFFFAOYSA-N
MW211.27 g/mol
LogP-1.12
Rot. Bonds5

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

2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290433) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290433
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)NCCCN)cn1
InChIInChI=1S/C9H17N5O/c1-14-6-7(5-13-14)8(11)9(15)12-4-2-3-10/h5-6,8H,2-4,10-11H2,1H3,(H,12,15)
InChIKeyOKOHJUPEZAIWLP-UHFFFAOYSA-N
XLogP-1.12
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-1.12
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

5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306
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
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289585
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115290433) is 2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)NCCCN)cn1.
What is the InChIKey of 2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is OKOHJUPEZAIWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-6-7(5-13-14)8(11)9(15)12-4-2-3-10/h5-6,8H,2-4,10-11H2,1H3,(H,12,15).
What are the key properties of 2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 211.27 g/mol, XLogP of -1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).