N-ethyl-2-(4-nitropyrazol-1-yl)propanamide

C8H12N4O3 — CID 19534268

IUPACN-ethyl-2-(4-nitropyrazol-1-yl)propanamide
SMILESCCNC(=O)C(C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C8H12N4O3/c1-3-9-8(13)6(2)11-5-7(4-10-11)12(14)15/h4-6H,3H2,1-2H3,(H,9,13)
InChIKeyDRVWPXONARWJQZ-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.49
Rot. Bonds4

About N-ethyl-2-(4-nitropyrazol-1-yl)propanamide

N-ethyl-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 19534268) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-ethyl-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID19534268
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC NameN-ethyl-2-(4-nitropyrazol-1-yl)propanamide
SMILESCCNC(=O)C(C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C8H12N4O3/c1-3-9-8(13)6(2)11-5-7(4-10-11)12(14)15/h4-6H,3H2,1-2H3,(H,9,13)
InChIKeyDRVWPXONARWJQZ-UHFFFAOYSA-N
XLogP0.49
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.49
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-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19528811
N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide
CID 19528821
N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528820
(2R)-N-[(2-methylphenyl)methyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 97340692
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 4918403
2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19528793
4-[[(2S)-2-(4-nitropyrazol-1-yl)propanoyl]amino]benzamide
CID 831802
1-[1-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19471051
(2R)-2-(4-nitropyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 95989737
(2R)-N-(6-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 7304876
(2R)-2-(4-nitropyrazol-1-yl)butanoic acid
CID 7017284
N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551809

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-ethyl-2-(4-nitropyrazol-1-yl)propanamide (CID 19534268) is N-ethyl-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-2-(4-nitropyrazol-1-yl)propanamide is CCNC(=O)C(C)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-ethyl-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is DRVWPXONARWJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-3-9-8(13)6(2)11-5-7(4-10-11)12(14)15/h4-6H,3H2,1-2H3,(H,9,13).
What are the key properties of N-ethyl-2-(4-nitropyrazol-1-yl)propanamide?
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 212.21 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19534268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).