2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide

C7H10N4O3 — CID 749620

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(N)=O)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-4-7(11(13)14)5(2)10(9-4)3-6(8)12/h3H2,1-2H3,(H2,8,12)
InChIKeyZMYXDYPCIBBWCI-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.11
Rot. Bonds3

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 749620) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
PubChem CID749620
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(N)=O)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-4-7(11(13)14)5(2)10(9-4)3-6(8)12/h3H2,1-2H3,(H2,8,12)
InChIKeyZMYXDYPCIBBWCI-UHFFFAOYSA-N
XLogP-0.11
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
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-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetic acid
CID 722518
1,3,5-Trimethyl-4-nitro-1H-pyrazole
CID 121019
N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2569974
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 7277783
N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9291211
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3145049
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9363225
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-isopropylacetamide
CID 1258999
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 1720543
Methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]acetate
CID 2077906
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5040743
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 749080

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (CID 749620) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is Cc1nn(CC(N)=O)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is ZMYXDYPCIBBWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-4-7(11(13)14)5(2)10(9-4)3-6(8)12/h3H2,1-2H3,(H2,8,12).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 198.18 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 749620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).