N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide

C6H9N5O3 — CID 82238086

IUPACN-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide
SMILESCNC(=O)CNc1cn[nH]c1[N+](=O)[O-]
InChIInChI=1S/C6H9N5O3/c1-7-5(12)3-8-4-2-9-10-6(4)11(13)14/h2,8H,3H2,1H3,(H,7,12)(H,9,10)
InChIKeyWCORXMFZIBQUKR-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.52
Rot. Bonds4

About N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide

N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide (PubChem CID 82238086) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide
PubChem CID82238086
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC NameN-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide
SMILESCNC(=O)CNc1cn[nH]c1[N+](=O)[O-]
InChIInChI=1S/C6H9N5O3/c1-7-5(12)3-8-4-2-9-10-6(4)11(13)14/h2,8H,3H2,1H3,(H,7,12)(H,9,10)
InChIKeyWCORXMFZIBQUKR-UHFFFAOYSA-N
XLogP-0.52
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol
CID 82238092
ethyl 3-[(5-nitro-1H-pyrazol-4-yl)amino]propanoate
CID 114988498
N',N'-dimethyl-N-(5-nitro-1H-pyrazol-4-yl)propane-1,3-diamine
CID 114988005
N-[(4-methoxyphenyl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 114989818
N-butan-2-yl-5-nitro-1H-pyrazol-4-amine
CID 82238073
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 82238110
N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 115001791
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 82238106
N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 115002821
3-[(5-nitro-1H-pyrazol-4-yl)amino]propane-1-sulfonamide
CID 114996232
N-methyl-2-[(8-nitroisoquinolin-5-yl)amino]acetamide
CID 43386255
5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine
CID 54967766

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide?
The IUPAC name of N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide (CID 82238086) is N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide.
What is the SMILES notation for N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide?
The canonical SMILES for N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide is CNC(=O)CNc1cn[nH]c1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide?
The InChIKey is WCORXMFZIBQUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-7-5(12)3-8-4-2-9-10-6(4)11(13)14/h2,8H,3H2,1H3,(H,7,12)(H,9,10).
What are the key properties of N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide?
N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide has a molecular weight of 199.17 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide is sourced from PubChem (CID 82238086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).