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

C6H9N5O3 — CID 103079637

IUPAC2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
SMILESCn1cc([N+](=O)[O-])c(NCC(N)=O)n1
InChIInChI=1S/C6H9N5O3/c1-10-3-4(11(13)14)6(9-10)8-2-5(7)12/h3H,2H2,1H3,(H2,7,12)(H,8,9)
InChIKeyUXOYGBZJIOUHJY-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.77
Rot. Bonds4

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

2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide (PubChem CID 103079637) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
PubChem CID103079637
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
SMILESCn1cc([N+](=O)[O-])c(NCC(N)=O)n1
InChIInChI=1S/C6H9N5O3/c1-10-3-4(11(13)14)6(9-10)8-2-5(7)12/h3H,2H2,1H3,(H2,7,12)(H,8,9)
InChIKeyUXOYGBZJIOUHJY-UHFFFAOYSA-N
XLogP-0.77
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide
CID 106239305
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-N,2-N,2-trimethyl-1-N-(1-methyl-4-nitropyrazol-3-yl)propane-1,2-diamine
CID 103079835
N-(2,2-dimethoxyethyl)-1-methyl-4-nitropyrazol-3-amine
CID 107390111
4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol
CID 107153465
3-methyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]butan-1-ol
CID 103080149
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide?
The IUPAC name of 2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide (CID 103079637) is 2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide.
What is the SMILES notation for 2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide?
The canonical SMILES for 2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide is Cn1cc([N+](=O)[O-])c(NCC(N)=O)n1.
What is the InChIKey of 2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide?
The InChIKey is UXOYGBZJIOUHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-10-3-4(11(13)14)6(9-10)8-2-5(7)12/h3H,2H2,1H3,(H2,7,12)(H,8,9).
What are the key properties of 2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide?
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide has a molecular weight of 199.17 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide is sourced from PubChem (CID 103079637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).