2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide

C12H7F5N4O3 — CID 19528793

IUPAC2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCC(C(=O)Nc1c(F)c(F)c(F)c(F)c1F)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H7F5N4O3/c1-4(20-3-5(2-18-20)21(23)24)12(22)19-11-9(16)7(14)6(13)8(15)10(11)17/h2-4H,1H3,(H,19,22)
InChIKeyRHOIFXMYIWVJSI-UHFFFAOYSA-N
MW350.20 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide

2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide (PubChem CID 19528793) has the molecular formula C12H7F5N4O3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
PubChem CID19528793
Molecular FormulaC12H7F5N4O3
Molecular Weight350.20 g/mol
Exact Mass350.04
IUPAC Name2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCC(C(=O)Nc1c(F)c(F)c(F)c(F)c1F)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H7F5N4O3/c1-4(20-3-5(2-18-20)21(23)24)12(22)19-11-9(16)7(14)6(13)8(15)10(11)17/h2-4H,1H3,(H,19,22)
InChIKeyRHOIFXMYIWVJSI-UHFFFAOYSA-N
XLogP2.69
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19534387
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
N-(3-fluoro-4-methylphenyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 75517792
2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19528811
4-[[(2S)-2-(4-nitropyrazol-1-yl)propanoyl]amino]benzamide
CID 831802
N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide
CID 19528821
(2R)-N-(6-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 7304876
(2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 7366681
2-(4-nitropyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4915850
N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528820
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528874
2-(4-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19534423

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide (CID 19528793) is 2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide is CC(C(=O)Nc1c(F)c(F)c(F)c(F)c1F)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The InChIKey is RHOIFXMYIWVJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5N4O3/c1-4(20-3-5(2-18-20)21(23)24)12(22)19-11-9(16)7(14)6(13)8(15)10(11)17/h2-4H,1H3,(H,19,22).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide has a molecular weight of 350.20 g/mol, XLogP of 2.69, 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)-N-(2,3,4,5,6-pentafluorophenyl)propanamide is sourced from PubChem (CID 19528793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).