2-(4-nitropyrazol-1-yl)butanamide

C7H10N4O3 — CID 62901815

IUPAC2-(4-nitropyrazol-1-yl)butanamide
SMILESCCC(C(N)=O)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C7H10N4O3/c1-2-6(7(8)12)10-4-5(3-9-10)11(13)14/h3-4,6H,2H2,1H3,(H2,8,12)
InChIKeyVPJHTWQMYMNLCD-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.23
Rot. Bonds4

About 2-(4-nitropyrazol-1-yl)butanamide

2-(4-nitropyrazol-1-yl)butanamide (PubChem CID 62901815) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)butanamide
PubChem CID62901815
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-(4-nitropyrazol-1-yl)butanamide
SMILESCCC(C(N)=O)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C7H10N4O3/c1-2-6(7(8)12)10-4-5(3-9-10)11(13)14/h3-4,6H,2H2,1H3,(H2,8,12)
InChIKeyVPJHTWQMYMNLCD-UHFFFAOYSA-N
XLogP0.23
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.23
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

(2R)-2-(4-nitropyrazol-1-yl)butanoic acid
CID 7017284
N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide
CID 19551533
N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551809
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2-(4-nitropyrazol-1-yl)butanoate
CID 19293822
2-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 19393588
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide
CID 19528821
methyl 1-ethyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate
CID 19551776
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide
CID 19551831
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(4-nitropyrazol-1-yl)butanamide
CID 19553692
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551707
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551708

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)butanamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)butanamide (CID 62901815) is 2-(4-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)butanamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)butanamide is CCC(C(N)=O)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)butanamide?
The InChIKey is VPJHTWQMYMNLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-2-6(7(8)12)10-4-5(3-9-10)11(13)14/h3-4,6H,2H2,1H3,(H2,8,12).
What are the key properties of 2-(4-nitropyrazol-1-yl)butanamide?
2-(4-nitropyrazol-1-yl)butanamide has a molecular weight of 198.18 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 62901815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).