2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide

C8H13N5O4 — CID 106239305

IUPAC2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide
SMILESCn1cc([N+](=O)[O-])c(NCCOCC(N)=O)n1
InChIInChI=1S/C8H13N5O4/c1-12-4-6(13(15)16)8(11-12)10-2-3-17-5-7(9)14/h4H,2-3,5H2,1H3,(H2,9,14)(H,10,11)
InChIKeyYVYWBJNCNXSWKU-UHFFFAOYSA-N
MW243.22 g/mol
LogP-0.76
Rot. Bonds7

About 2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide

2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide (PubChem CID 106239305) has the molecular formula C8H13N5O4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide
PubChem CID106239305
Molecular FormulaC8H13N5O4
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide
SMILESCn1cc([N+](=O)[O-])c(NCCOCC(N)=O)n1
InChIInChI=1S/C8H13N5O4/c1-12-4-6(13(15)16)8(11-12)10-2-3-17-5-7(9)14/h4H,2-3,5H2,1H3,(H2,9,14)(H,10,11)
InChIKeyYVYWBJNCNXSWKU-UHFFFAOYSA-N
XLogP-0.76
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine
CID 103080049
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
CID 107318026
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
CID 103080080
2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239517
N-ethyl-N'-(1-methyl-4-nitropyrazol-3-yl)propane-1,3-diamine
CID 103080213
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103080085
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide
CID 103080082
2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide
CID 114162578

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide (CID 106239305) is 2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide is Cn1cc([N+](=O)[O-])c(NCCOCC(N)=O)n1.
What is the InChIKey of 2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide?
The InChIKey is YVYWBJNCNXSWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O4/c1-12-4-6(13(15)16)8(11-12)10-2-3-17-5-7(9)14/h4H,2-3,5H2,1H3,(H2,9,14)(H,10,11).
What are the key properties of 2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide?
2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide has a molecular weight of 243.22 g/mol, XLogP of -0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106239305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).