N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide

C7H10N4O3 — CID 60729245

IUPACN,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide
SMILESCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C7H10N4O3/c1-9(2)7(12)5-10-4-6(3-8-10)11(13)14/h3-4H,5H2,1-2H3
InChIKeyHWXGENPDNUUZHF-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.12
Rot. Bonds3

About N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide

N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 60729245) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID60729245
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide
SMILESCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C7H10N4O3/c1-9(2)7(12)5-10-4-6(3-8-10)11(13)14/h3-4H,5H2,1-2H3
InChIKeyHWXGENPDNUUZHF-UHFFFAOYSA-N
XLogP-0.12
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide (CID 60729245) is N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide is CN(C)C(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is HWXGENPDNUUZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-9(2)7(12)5-10-4-6(3-8-10)11(13)14/h3-4H,5H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide?
N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 198.18 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 60729245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).