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

C10H16N4O3 — CID 19528821

IUPACN-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O3/c1-4-7(2)12-10(15)8(3)13-6-9(5-11-13)14(16)17/h5-8H,4H2,1-3H3,(H,12,15)
InChIKeyBGIOXCBUASTINK-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.27
Rot. Bonds5

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

N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 19528821) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID19528821
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O3/c1-4-7(2)12-10(15)8(3)13-6-9(5-11-13)14(16)17/h5-8H,4H2,1-3H3,(H,12,15)
InChIKeyBGIOXCBUASTINK-UHFFFAOYSA-N
XLogP1.27
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.27
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

N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19528811
N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528820
2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19528793
(2R)-N-[(2-methylphenyl)methyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 97340692
(2R)-2-(4-nitropyrazol-1-yl)butanoic acid
CID 7017284
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 4918403
2-(4-nitropyrazol-1-yl)butanamide
CID 62901815
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)-N-(6-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 7304876
N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551809

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide (CID 19528821) is N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide is CCC(C)NC(=O)C(C)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is BGIOXCBUASTINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-7(2)12-10(15)8(3)13-6-9(5-11-13)14(16)17/h5-8H,4H2,1-3H3,(H,12,15).
What are the key properties of N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide?
N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 240.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19528821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).