N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide

C9H15N5O2 — CID 62101709

IUPACN-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
SMILESCC(=O)NCCNC(=O)Cn1ccc(N)n1
InChIInChI=1S/C9H15N5O2/c1-7(15)11-3-4-12-9(16)6-14-5-2-8(10)13-14/h2,5H,3-4,6H2,1H3,(H2,10,13)(H,11,15)(H,12,16)
InChIKeyZRIDDYLDLHHQIT-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.28
Rot. Bonds5

About N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide

N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide (PubChem CID 62101709) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
PubChem CID62101709
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
SMILESCC(=O)NCCNC(=O)Cn1ccc(N)n1
InChIInChI=1S/C9H15N5O2/c1-7(15)11-3-4-12-9(16)6-14-5-2-8(10)13-14/h2,5H,3-4,6H2,1H3,(H2,10,13)(H,11,15)(H,12,16)
InChIKeyZRIDDYLDLHHQIT-UHFFFAOYSA-N
XLogP-1.28
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.28
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-(3-aminopyrazol-1-yl)-N-pent-3-ynylacetamide
CID 116642593
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-(3-phenylbutyl)acetamide
CID 62986610
2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62604621
2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63824758
2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64518365
2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62522791
2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
CID 60783220
2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
CID 62101706
2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64519510
2-(3-aminopyrazol-1-yl)-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 55258861
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83176621

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide (CID 62101709) is N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide is CC(=O)NCCNC(=O)Cn1ccc(N)n1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide?
The InChIKey is ZRIDDYLDLHHQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-7(15)11-3-4-12-9(16)6-14-5-2-8(10)13-14/h2,5H,3-4,6H2,1H3,(H2,10,13)(H,11,15)(H,12,16).
What are the key properties of N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide?
N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of -1.28, 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-(3-aminopyrazol-1-yl)acetamide is sourced from PubChem (CID 62101709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).